Receptor
PDB id Resolution Class Description Source Keywords
3A14 2 Å EC: 1.1.1.267 CRYSTAL STRUCTURE OF DXR FROM THERMOTOGA MARITIMA, IN COMPLE NADPH THERMOTOGA MARITIMA REDUCTOISOMERASE MEP PATHWAY ISOPRENE BIOSYNTHESIS METAL-NADP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE FROM THE HYPERTHERMOPHILE THERMOTO MARITIMA FOR INSIGHTS INTO THE COORDINATION OF CONFORMATIONAL CHANGES AND AN INHIBITOR BINDING. J.STRUCT.BIOL. 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:900;
B:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
MPD A:800;
B:801;
Valid;
Valid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NDP A:3001;
A:3003;
B:3002;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A06 2 Å EC: 1.1.1.267 CRYSTAL STRUCTURE OF DXR FROM THERMOOGA MARITIA, IN COMPLEX FOSMIDOMYCIN AND NADPH THERMOTOGA MARITIMA REDUCTOISOMERASE MEP PATHWAY ISOPRENE BIOSYNTHESIS METAL-NADP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE FROM THE HYPERTHERMOPHILE THERMOTO MARITIMA FOR INSIGHTS INTO THE COORDINATION OF CONFORMATIONAL CHANGES AND AN INHIBITOR BINDING J.STRUCT.BIOL. V. 170 532 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3A06 ic50 ~ 100 nM FOM C4 H10 N O5 P C(CN(C=O)O....
2 3A14 - MPD C6 H14 O2 C[C@@H](CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3A06 ic50 ~ 100 nM FOM C4 H10 N O5 P C(CN(C=O)O....
2 3A14 - MPD C6 H14 O2 C[C@@H](CC....
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JCV ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
2 3ZHZ ic50 = 19 uM FM7 C23 H20 Cl2 F3 N2 O5 P c1ccc(c(c1....
3 2JD1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 2JCX ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
5 4AIC ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
6 4OOE Ki = 14 nM FOM C4 H10 N O5 P C(CN(C=O)O....
7 4RCV - DE2 C4 H8 O3 CC(=O)[C@H....
8 2Y1F ic50 = 15 uM 34F C10 H12 Cl2 N O5 P c1cc(c(cc1....
9 3ZI0 ic50 = 13 uM FM8 C19 H19 Cl2 N4 O5 P c1ccc(c(c1....
10 4A03 ic50 = 160 nM F98 C5 H12 N O5 P CC(=O)N(CC....
11 2Y1D - 34F C10 H12 Cl2 N O5 P c1cc(c(cc1....
12 2Y1G ic50 = 0.7 uM FM5 C11 H14 Cl2 N O5 P CC(=O)N(CC....
13 4OOF Ki = 60 nM FOM C4 H10 N O5 P C(CN(C=O)O....
14 2JD0 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 3WQS ic50 = 0.05 uM KBK C11 H16 N O7 P CN(C(=O)CO....
16 3WQQ ic50 = 0.01 uM IB3 C12 H18 N O5 P Cc1ccc(cc1....
17 3ANL ic50 = 4.6 uM SYC C6 H8 N O3 P c1ccnc(c1)....
18 2EGH Ki = 38 nM FOM C4 H10 N O5 P C(CN(C=O)O....
19 1T1S ic50 = 7 uM CBQ C6 H9 Cl N2 O6 P2 c1cc(ncc1C....
20 1ONP - FOM C4 H10 N O5 P C(CN(C=O)O....
21 3ANM ic50 = 0.84 uM SYD C12 H12 N O3 P c1ccc(cc1)....
22 1JVS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
23 1Q0H Ki ~ 21 nM FOM C4 H10 N O5 P C(CN(C=O)O....
24 1T1R ic50 = 4 uM IMB C10 H12 N2 O6 P2 c1ccc2c(c1....
25 1Q0Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
26 3R0I ic50 = 0.12 uM C0K C11 H14 F2 N O5 P CN(C(=O)CC....
27 3ANN ic50 = 15.9 uM SYE C10 H10 N O3 P c1ccc2c(c1....
28 3A06 ic50 ~ 100 nM FOM C4 H10 N O5 P C(CN(C=O)O....
29 3A14 - MPD C6 H14 O2 C[C@@H](CC....
30 4Y6P ic50 = 0.069 uM R77 C15 H24 N O5 P CN(C(=O)C[....
31 5JMP ic50 = 0.067 uM LC7 C14 H21 F N O5 P CN(C(=O)C[....
32 5JMW ic50 = 0.175 uM L50 C15 H24 N O5 P Cc1ccc(cc1....
33 5JBI ic50 = 0.12 uM 6J8 C15 H24 N O6 P CN(C(=O)C[....
34 4Y6R ic50 = 3.3 uM RF7 C11 H16 N O5 P CN(C(=O)C[....
35 4KP7 ic50 = 9.4 nM 1UQ C10 H14 N O5 P S CN(C(=O)CS....
36 4GAE Ki = 0.013 uM FOQ C10 H15 N2 O5 P CC(=O)N(CC....
37 4Y67 ic50 = 0.117 uM RC5 C14 H22 N O5 P CN(C(=O)C[....
38 5JO0 ic50 = 0.05 uM L56 C15 H24 N O5 P Cc1cccc(c1....
39 5JAZ ic50 = 0.28 uM LC5 C18 H24 N O5 P CN(C(=O)C[....
40 4Y6S ic50 = 9.3 uM 48S C12 H18 N O5 P Cc1ccc(cc1....
41 5JC1 ic50 = 0.15 uM 6JB C15 H24 N O6 P CN(C(=O)C[....
42 5JNL ic50 = 0.27 uM L54 C15 H21 F3 N O5 P CN(C(=O)C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MPD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MRD 1 1
2 MPD 1 1
Ligand no: 2; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A06; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3a06.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3A06; Ligand: FOM; Similar sites found: 348
This union binding pocket(no: 2) in the query (biounit: 3a06.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F1K NAP 0.0001396 0.47164 None
2 1HKU NAD 0.0005298 0.43579 0.837989
3 1LVL NAD 0.001023 0.4536 1.32979
4 1LJ8 NAD 0.006887 0.41374 1.32979
5 1M2W NAD 0.007263 0.40986 1.32979
6 1YQD NAP 0.001329 0.41546 1.36612
7 5DOZ NDP 0.002959 0.40983 1.47929
8 5A3B APR 0.006631 0.4035 1.65016
9 5M04 GDP 0.04476 0.40374 1.66667
10 4MDH NAD 0.001516 0.42664 1.79641
11 5MDH NAD 0.00174 0.42424 1.8018
12 5L53 NAP 0.006445 0.415 1.85185
13 1U8X NAD 0.002447 0.42111 1.8617
14 4EUE NAI 0.0002563 0.42061 1.8617
15 2Q1S NAI 0.00177 0.41146 1.8617
16 2IXB NAD 0.003278 0.40566 1.8617
17 1E3I CXF 0.00204 0.40174 1.8617
18 5GT9 NAP 0.001009 0.42514 1.90114
19 4J4H NAI 0.0003547 0.43989 1.9305
20 4J4H 1J1 0.0003547 0.43989 1.9305
21 4JK3 NAD 0.0001963 0.40819 1.9305
22 4D3F NAP 0.0001408 0.48745 1.93548
23 1HDO NAP 0.001797 0.40825 1.94175
24 3V1Y NAD 0.0008797 0.43917 2.07715
25 1HDG NAD 0.005126 0.41072 2.10843
26 2WPF FAD 0.001086 0.44966 2.12766
27 2WPF WPF 0.00182 0.44213 2.12766
28 1GET NAP 0.001121 0.43676 2.12766
29 1GET FAD 0.001234 0.43379 2.12766
30 1GY8 NAD 0.002885 0.40778 2.12766
31 5JAQ NAI 0.0009822 0.40148 2.12766
32 1D1T NAD 0.00116 0.4202 2.14477
33 5GZ6 NDP 0.01621 0.40014 2.14724
34 2A92 NAI 0.0004593 0.43527 2.18069
35 2HK9 NAP 0.0003378 0.40363 2.18182
36 2I3G NAP 0.00001155 0.49897 2.27273
37 1E3W NAD 0.004317 0.40348 2.29885
38 1E6W NAD 0.002688 0.41144 2.30769
39 1YJQ NAP 0.0002842 0.44016 2.31023
40 1GEG NAD 0.004741 0.4019 2.34375
41 2GSD NAD 0.0006869 0.42087 2.39362
42 1H9A NAP 0.001389 0.40288 2.39362
43 5KVS NAP 0.009427 0.40232 2.39362
44 2RGJ FAD 0.003363 0.40058 2.39362
45 4PLG NAI 0.0002545 0.42944 2.39521
46 1J0X NAD 0.003008 0.40311 2.40964
47 1UAY ADN 0.02989 0.40251 2.47934
48 1F06 NDP 0.0007084 0.40371 2.5
49 1BW9 NAD 0.000155 0.48562 2.52809
50 1BXG NAD 0.0002726 0.40528 2.52809
51 1C1X NAD 0.0002922 0.45861 2.53521
52 1KEV NDP 0.00142 0.41196 2.5641
53 2Q0L NAP 0.009111 0.4244 2.57235
54 3QWI CUE 0.0007953 0.42193 2.59259
55 3QWI NAP 0.0007401 0.40512 2.59259
56 2B4R NAD 0.001269 0.42135 2.6087
57 2B4R AES 0.003697 0.40609 2.6087
58 3WBF API 0.0008692 0.42226 2.62295
59 3WBF NAP 0.002141 0.41791 2.62295
60 1H5Q NAP 0.000946 0.42621 2.64151
61 4MP8 NAD 0.00106 0.41296 2.65487
62 2BH9 NAP 0.0007189 0.47755 2.65957
63 2RAB NAD 0.0002425 0.46091 2.65957
64 5E4R NAP 0.001506 0.42392 2.65957
65 4S00 AKR 0.03592 0.4093 2.65957
66 4TXI FAD 0.002402 0.40836 2.65957
67 2PV7 NAD 0.0003967 0.4499 2.68456
68 4TO8 FLC 0.01979 0.41291 2.73973
69 3ICC NAP 0.0004976 0.43396 2.7451
70 3WV8 ATP 0.0002895 0.48228 2.75229
71 4CJX NAP 0.0004557 0.45418 2.82132
72 1YB5 NAP 0.001328 0.41301 2.849
73 3TWO NDP 0.002253 0.40242 2.87356
74 3H9E NAD 0.002595 0.42008 2.89017
75 3JV7 NAD 0.002121 0.41542 2.89855
76 1HYH NAD 0.0001793 0.45368 2.91262
77 4UZI IMD 0.01431 0.41822 2.92553
78 3SQP FAD 0.0317 0.40706 2.92553
79 2C7G ODP 0.004209 0.40629 2.92553
80 2C7G FAD 0.00441 0.40629 2.92553
81 5I34 GDP 0.03283 0.40377 2.92553
82 1H82 GZZ 0.006857 0.40257 2.92553
83 4ZM4 PLP 0.04311 0.40106 2.92553
84 2DBZ NAP 0.0001448 0.42147 2.99401
85 3LU1 NAD 0.0008178 0.43143 3.02198
86 4PNG GSF 0.02807 0.41462 3.05677
87 4YCA NDP 0.001504 0.42971 3.06122
88 4DPL NAP 0.0000296 0.48713 3.06407
89 1SB8 UD2 0.002817 0.41123 3.125
90 1SB8 NAD 0.0024 0.41039 3.125
91 2IZ1 ATR 0.001507 0.48638 3.19149
92 4R5M NAP 0.0002471 0.45476 3.19149
93 4R5M 4NO 0.0004301 0.43923 3.19149
94 3UCL NAP 0.001515 0.43173 3.19149
95 3UCL CYH 0.00236 0.4223 3.19149
96 3UCL FAD 0.00236 0.4223 3.19149
97 3WLE NAD 0.0009872 0.41285 3.22581
98 1F8F NAD 0.001785 0.42967 3.2345
99 1C3V NDP 0.00003915 0.47881 3.26531
100 1KYQ NAD 0.00006599 0.52183 3.28467
101 1CER NAD 0.001779 0.42674 3.32326
102 1WVG APR 0.0005435 0.45102 3.34262
103 2HJR APR 0.00001582 0.52386 3.35366
104 1YKF NAP 0.001165 0.42549 3.40909
105 1I36 NAP 0.0001175 0.40449 3.40909
106 5UAV NDP 0.0001851 0.43847 3.41615
107 5UAV TFB 0.0001851 0.43847 3.41615
108 1U7T NAD 0.003199 0.41367 3.44828
109 5JCM NAD 0.000756 0.44124 3.45745
110 5JCM ISD 0.0009695 0.4371 3.45745
111 5JCM FAD 0.0009283 0.4371 3.45745
112 3NJ4 AFX 0.003552 0.43644 3.45745
113 1QMG APX 0.001774 0.43611 3.45745
114 3NJ4 NAD 0.003851 0.435 3.45745
115 3T31 FAD 0.0008121 0.43304 3.45745
116 3T31 DCQ 0.0008987 0.43304 3.45745
117 2NAD NAD 0.0007913 0.4138 3.45745
118 1LLU NAD 0.0006951 0.42323 3.50877
119 2DKN NAI 0.002183 0.41758 3.52941
120 3B1J NAD 0.002765 0.41097 3.53982
121 1GUZ NAD 0.00007218 0.42879 3.54839
122 2Q46 NAP 0.0007586 0.43562 3.55731
123 5VKT NAP 0.001251 0.42429 3.59116
124 3BAZ NAP 0.000131 0.47655 3.6036
125 2GCG NDP 0.001013 0.43068 3.63636
126 1JA9 NDP 0.0006234 0.40899 3.64964
127 1YS4 NAP 0.00001671 0.42038 3.67232
128 4XQC NAD 0.0001907 0.41289 3.7234
129 5TUF FAD 0.002466 0.40793 3.7234
130 4FMS BDP 0.04433 0.4074 3.7234
131 4XQC 13D 0.0002498 0.40547 3.7234
132 4XFR CIT 0.04939 0.40168 3.74707
133 4JBI NDP 0.002908 0.4209 3.78378
134 3H4V DVP 0.002693 0.40387 3.81944
135 3CH6 NAP 0.003268 0.41483 3.84615
136 3CH6 311 0.003268 0.41483 3.84615
137 4KOA NDP 0.01025 0.41847 3.9039
138 5FI3 NAP 0.0004002 0.44343 3.92157
139 4E5N NAD 0.0001828 0.45337 3.93939
140 2YVF NAD 0.0007386 0.4394 3.98936
141 2YVF FAD 0.0007049 0.4394 3.98936
142 4O0L NDP 0.0005012 0.4367 4
143 1LTH NAD 0.0002256 0.47055 4.07523
144 4K28 NAD 0.0002155 0.46762 4.08922
145 1VKO NAD 0.002765 0.40606 4.09683
146 5KKA 6V0 0.00006576 0.46687 4.16667
147 4GKV NAD 0.0004919 0.42868 4.16667
148 1PL6 572 0.0001036 0.43645 4.21348
149 1G0N PHH 0.0006648 0.42473 4.24028
150 1G0N NDP 0.0008894 0.41683 4.24028
151 1JAY NAP 0.0001901 0.48176 4.24528
152 1DIG NAP 0.001484 0.41619 4.24837
153 1DIG L37 0.0019 0.40974 4.24837
154 3CGD FAD 0.0005013 0.45559 4.25532
155 3CGD COA 0.0005013 0.45559 4.25532
156 3CGD NAD 0.0005013 0.45559 4.25532
157 1LDM NAD 0.0003553 0.44543 4.25532
158 2QRK AMP 0.002064 0.40384 4.25532
159 1F8G NAD 0.01161 0.4038 4.25532
160 1W73 NAP 0.009403 0.40236 4.30464
161 1W8D NAP 0.01068 0.40002 4.30464
162 3RJ5 NAD 0.0007839 0.4086 4.33071
163 5IN4 GDP 0.03827 0.40243 4.3956
164 5IN4 NAP 0.03992 0.40243 4.3956
165 5IN4 6CK 0.04074 0.40179 4.3956
166 1NYT NAP 0.0005145 0.452 4.42804
167 2JAP NDP 0.001471 0.41891 4.45344
168 2JAH NDP 0.002865 0.40789 4.45344
169 5LD5 NAD 0.002243 0.43175 4.46927
170 3KB6 NAD 0.0002282 0.45949 4.49102
171 1I0Z NAI 0.0003763 0.44446 4.5045
172 1V6A TRE 0.005513 0.45866 4.51807
173 9LDB NAD 0.0003972 0.44054 4.51807
174 9LDT NAD 0.000415 0.41067 4.51807
175 1MO9 KPC 0.002719 0.42791 4.52128
176 1MO9 FAD 0.003097 0.42513 4.52128
177 1UXG NAD 0.0002662 0.43545 4.53074
178 5AYV KPL 0.0002484 0.43132 4.53074
179 1PZG A3D 0.0001912 0.43379 4.53172
180 2FZW NAD 0.003103 0.40262 4.55764
181 1ZQ9 SAM 0.009682 0.41633 4.5614
182 3RKR NAP 0.008945 0.43658 4.58015
183 2YVJ NAI 0.000227 0.49169 4.58716
184 3MJE NDP 0.0005447 0.40449 4.6371
185 1FK8 NAD 0.001546 0.43225 4.66926
186 2O4C NAD 0.0005367 0.4084 4.73684
187 4XB2 HSE 0.00005845 0.4431 4.77612
188 4ZNO SUC 0.01538 0.43074 4.77612
189 4XB2 NDP 0.00002112 0.42545 4.77612
190 3ORF NAD 0.001329 0.42605 4.78088
191 5T2U NAP 0.002177 0.40755 4.83871
192 1WP4 NDP 0.0002807 0.45589 4.84429
193 2CVZ NDP 0.0007031 0.44313 4.84429
194 5F5N NAD 0.008018 0.40013 4.84429
195 1SOW NAD 0.0001632 0.42769 4.87805
196 1M0S CIT 0.03558 0.4091 5.02283
197 1O0S NAI 0.0001511 0.48191 5.05319
198 1MUU NAD 0.0006008 0.44922 5.05319
199 5MQ6 NDP 0.005077 0.41653 5.05319
200 5MSO NAP 0.003552 0.41453 5.05319
201 2OOR NAD 0.0115 0.40399 5.05319
202 1DLJ UGA 0.0001314 0.4012 5.05319
203 4FN4 NAD 0.002837 0.41054 5.11811
204 4W6Z 8ID 0.0002845 0.43189 5.18732
205 2NU8 COA 0.0005878 0.44628 5.20833
206 2DT5 NAD 0.00005729 0.47969 5.21327
207 5DN9 NAD 0.001028 0.41958 5.21978
208 4BVA T3 0.0001748 0.44194 5.31915
209 4BVA NDP 0.000137 0.42848 5.31915
210 5U5G NAP 0.0002907 0.45199 5.42373
211 3OID NDP 0.0003228 0.42151 5.42636
212 3NGL NAP 0.004802 0.42373 5.43478
213 2PZM UDP 0.00167 0.41237 5.45455
214 2PZM NAD 0.00167 0.41237 5.45455
215 1GV0 NAD 0.0001026 0.4271 5.48387
216 5CAE COA 0.000348 0.46264 5.58511
217 1ZMD NAI 0.000554 0.45068 5.58511
218 4XDZ NDP 0.0008918 0.44213 5.58511
219 3UOY NAP 0.002775 0.42093 5.58511
220 5CAE SIN 0.001589 0.4126 5.58511
221 3IP5 ALA 0.03023 0.41861 5.61798
222 5JE8 NAD 0.00008358 0.48462 5.62914
223 1A5Z NAD 0.0001073 0.49259 5.64263
224 1EDO NAP 0.0002002 0.42519 5.7377
225 4NBT NAD 0.005444 0.40197 5.83333
226 3GD4 NAD 0.0006283 0.45541 5.85106
227 1X14 NAD 0.01366 0.41257 5.85106
228 1YKJ FAD 0.005143 0.40801 5.85106
229 2XYQ SAH 0.003418 0.43727 5.86207
230 1EBF NAD 0.0002094 0.40219 5.86592
231 1O8B ABF 0.02917 0.41372 5.93607
232 1R37 NAD 0.001556 0.40086 6.05187
233 5L95 AMP 0.0005181 0.47083 6.09319
234 2FR1 NDP 0.001411 0.41701 6.11702
235 1P31 EPU 0.009772 0.41614 6.11702
236 4K5S FAD 0.003173 0.40151 6.11702
237 1SC6 NAD 0.001109 0.40001 6.11702
238 5ITV NAI 0.004101 0.40196 6.27451
239 1EZ4 NAD 0.0005401 0.44778 6.28931
240 3ABI NAD 0.00005256 0.4775 6.30137
241 3QH2 3NM 0.04519 0.4073 6.33484
242 4D52 GXL 0.04847 0.40996 6.34921
243 3ETG GLU 0.001586 0.42135 6.38298
244 1HYE NAP 0.00002787 0.41936 6.38978
245 4RQU NAD 0.001242 0.42721 6.4
246 1Y1P NMN AMP PO4 0.005363 0.41551 6.43275
247 2B5W NAP 0.0003609 0.43087 6.44258
248 1XG5 NAP 0.001792 0.41565 6.45161
249 1R6D DAU 0.004317 0.40432 6.52819
250 1R6D NAD 0.004637 0.40394 6.52819
251 3A28 NAD 0.002873 0.41033 6.58915
252 1O6Z NAD 0.00001793 0.5168 6.60066
253 1SAY PYR 0.0004464 0.41963 6.6482
254 3OJO NAD 0.00006177 0.41261 6.64894
255 2Q1W NAD 0.001452 0.41654 6.90691
256 2DFV NAD 0.0002872 0.40894 6.91643
257 1VI2 NAD 0.000937 0.45156 7
258 2GZ3 NAP 0.00002178 0.48651 7.10383
259 3SJ7 NDP 0.0001161 0.42246 7.14286
260 3GFB NAD 0.002585 0.41737 7.14286
261 3WMX NAD 0.00402 0.41235 7.26257
262 4R08 URI 0.0196 0.41163 7.27497
263 1NPD NAD 0.000814 0.44712 7.29167
264 1GQ2 NAP 0.0003054 0.45115 7.44681
265 2VHW NAI 0.0001104 0.44636 7.44681
266 5EVY FAD 0.01025 0.40343 7.44681
267 3SJU NDP 0.0004581 0.43819 7.52688
268 1LDN NAD 0.0001638 0.42417 7.59494
269 4L8V NAP 0.00009008 0.43115 7.71513
270 4D79 ATP 0.001261 0.45729 7.97101
271 4RDH AMP 0.003957 0.44188 7.98611
272 4RDI ATP 0.006735 0.42364 7.98611
273 5THQ NDP 0.0004975 0.40621 8.08823
274 3C1O NAP 0.000137 0.40509 8.09969
275 1VL8 NAP 0.0006594 0.42668 8.2397
276 5H81 NAP 0.0001662 0.48431 8.24468
277 1J5P NAD 0.001011 0.43367 8.3004
278 2AE2 NAP 0.002898 0.40071 8.46154
279 1Z45 NAD 0.003496 0.40703 8.51064
280 3RFV 15L 0.001075 0.43564 8.61423
281 3RFV NAI 0.001992 0.4219 8.61423
282 1NVM NAD 0.0005392 0.43549 8.65385
283 1KEW NAD 0.004972 0.40124 8.86427
284 3B1F NAD 0.00003112 0.51603 8.96552
285 1T26 NAI 0.0004317 0.43258 9.00621
286 3WCS MAN NAG 0.003321 0.46905 9.05512
287 3WCS MAN NAG GAL 0.008649 0.43733 9.05512
288 4HXY NDP 0.0008786 0.40061 9.13242
289 3CIF G3H 0.001084 0.40894 9.1922
290 2C29 NAP 0.003313 0.41045 9.19881
291 1Z82 NDP 0.004601 0.40736 9.25373
292 4J7U YTZ 0.001452 0.41356 9.375
293 4J7U NAP 0.001452 0.41356 9.375
294 4XDY NAI 0.002893 0.41816 9.46746
295 5BSH PRO 0.001123 0.40042 9.74729
296 3OA2 NAD 0.00147 0.42433 9.74843
297 1RPN NDP 0.002232 0.40955 9.85075
298 2EV9 SKM 0.0002512 0.44507 9.88593
299 2EV9 NAP 0.0002512 0.42414 9.88593
300 1H2B NAJ 0.0007918 0.42375 10.585
301 3D3W NAP 0.001078 0.41881 10.6557
302 4II2 ATP 0.01517 0.40144 10.8434
303 4XZ3 COA 0.006031 0.41332 10.8696
304 1DRV A3D 0.00002945 0.41653 11.3553
305 1IY8 NAD 0.003275 0.40568 11.6105
306 4CLO NAP 0.0009667 0.43444 11.8056
307 4CME NAP 0.0008882 0.43293 11.8056
308 4CM9 NAP 0.0009213 0.42943 11.8056
309 3JQB NAP 0.001339 0.42879 11.8056
310 3BMQ NAP 0.0009633 0.42868 11.8056
311 3BMO NAP 0.001199 0.42781 11.8056
312 5JCJ NAP 0.0012 0.42779 11.8056
313 5JDC NAP 0.001261 0.42695 11.8056
314 4CM4 NAP 0.001326 0.42608 11.8056
315 4CM8 NAP 0.00138 0.42541 11.8056
316 3JQF NAP 0.001175 0.42534 11.8056
317 3JQ8 NAP 0.001188 0.42516 11.8056
318 3JQA NAP 0.001657 0.4251 11.8056
319 4CLR NAP 0.001448 0.42459 11.8056
320 3BMN NAP 0.001262 0.42415 11.8056
321 3JQG NAP 0.001802 0.42364 11.8056
322 4CMI NAP 0.001711 0.42174 11.8056
323 3JQ7 NAP 0.004204 0.40892 11.8056
324 3I6I NDP 0.0004125 0.41857 11.8497
325 1DXY NAD 0.0002103 0.40824 12.012
326 1VM6 NAD 0.00005935 0.4194 12.2807
327 1CF2 NAP 0.0001699 0.41131 12.4629
328 4CQM NAP 0.002347 0.41373 12.7049
329 2QZZ EMF 0.0008152 0.41818 12.8931
330 2QZZ NAP 0.000807 0.41715 12.8931
331 3VPH NAD 0.0003391 0.43733 12.9032
332 3VPH OXM 0.0009208 0.41632 12.9032
333 1ZEM NAD 0.0009293 0.4382 13.3588
334 1OBD AMP 0.009627 0.40898 13.7255
335 2BD0 NAP 0.001298 0.41837 13.9344
336 1P77 ATR 0.0001673 0.53918 13.9706
337 1RKX NAD 0.001022 0.42492 14.0056
338 1J49 NAD 0.0003593 0.40835 14.4144
339 1O94 ADP 0.001693 0.43374 14.6277
340 3QV1 NAD 0.001181 0.43709 14.6341
341 4KWI NAP 0.0002032 0.42182 15.5894
342 4KWI 1TJ 0.0001909 0.41927 15.5894
343 1EK6 UPG 0.002715 0.4142 15.8046
344 5VN0 NAI 0.0007048 0.44308 16.7553
345 1TB4 PEJ 0.0004904 0.44002 17.7898
346 3GGO ENO 0.001648 0.41055 18.1529
347 3GGO NAI 0.001648 0.41055 18.1529
348 2CVQ NDP 0.000518 0.44213 27.2171
Pocket No.: 3; Query (leader) PDB : 3A06; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3a06.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3A06; Ligand: FOM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3a06.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3A06; Ligand: NDP; Similar sites found: 376
This union binding pocket(no: 5) in the query (biounit: 3a06.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F1K NAP 0.000145 0.46821 None
2 1HKU NAD 0.0004257 0.43678 0.837989
3 1LVL NAD 0.0008978 0.4536 1.32979
4 1LJ8 NAD 0.0057 0.41507 1.32979
5 1M2W NAD 0.00654 0.40958 1.32979
6 1YQD NAP 0.001138 0.41546 1.36612
7 5DOZ NDP 0.002638 0.4094 1.47929
8 5A3B APR 0.005099 0.40587 1.65016
9 5M04 GDP 0.04113 0.40374 1.66667
10 1X7D ORN 0.002245 0.40588 1.71429
11 4MDH NAD 0.00136 0.42607 1.79641
12 5MDH NAD 0.001606 0.4232 1.8018
13 5L53 NAP 0.005723 0.415 1.85185
14 4EUE NAI 0.0002273 0.43132 1.8617
15 2Q1S NAI 0.001177 0.42265 1.8617
16 1U8X NAD 0.002137 0.42111 1.8617
17 2IXB NAD 0.002843 0.40566 1.8617
18 5GT9 NAP 0.0009643 0.42339 1.90114
19 4J4H NAI 0.0004788 0.4403 1.9305
20 4J4H 1J1 0.0004788 0.4403 1.9305
21 4JK3 NAD 0.000168 0.41869 1.9305
22 4D3F NAP 0.0001215 0.48745 1.93548
23 1HDO NAP 0.001539 0.40825 1.94175
24 3V1Y NAD 0.001009 0.43426 2.07715
25 1HDG NAD 0.004513 0.41072 2.10843
26 1RP0 AHZ 0.001321 0.40457 2.11268
27 2WPF WPF 0.001135 0.45518 2.12766
28 2WPF FAD 0.001174 0.45306 2.12766
29 1GET NAP 0.001004 0.44345 2.12766
30 1GET FAD 0.001084 0.44075 2.12766
31 1GY8 NAD 0.002655 0.40679 2.12766
32 4CP8 MLI 0.04947 0.4038 2.12766
33 1KOL NAD 0.002471 0.40322 2.12766
34 5JAQ NAI 0.0006532 0.40158 2.12766
35 1D1T NAD 0.001124 0.41822 2.14477
36 5GZ6 NDP 0.01453 0.40014 2.14724
37 2A92 NAI 0.0004187 0.43415 2.18069
38 2HK9 NAP 0.0002903 0.41334 2.18182
39 2I3G NAP 0.000009783 0.49857 2.27273
40 1E3W NAD 0.003959 0.40263 2.29885
41 1ORR NAD 0.002082 0.40055 2.30548
42 1E6W NAD 0.002578 0.40978 2.30769
43 1YJQ NAP 0.0002418 0.44005 2.31023
44 1GEG NAD 0.004437 0.40073 2.34375
45 2GSD NAD 0.0005567 0.42029 2.39362
46 1H9A NAP 0.001247 0.41154 2.39362
47 1N7G GDR 0.00542 0.40697 2.39362
48 5KVS NAP 0.00836 0.40232 2.39362
49 2RGJ FAD 0.002904 0.40058 2.39362
50 4PLG NAI 0.0001836 0.42842 2.39521
51 1J0X NAD 0.002362 0.41135 2.40964
52 1UAY ADN 0.02721 0.40251 2.47934
53 1E7S NAP 0.001661 0.40105 2.49221
54 1F06 NDP 0.000645 0.41284 2.5
55 1BW9 NAD 0.0001339 0.48562 2.52809
56 1BXG NAD 0.0002192 0.41525 2.52809
57 1C1X NAD 0.0002469 0.4589 2.53521
58 1KEV NDP 0.001209 0.41202 2.5641
59 2Q0L NAP 0.008202 0.4244 2.57235
60 3QWI CUE 0.000637 0.43045 2.59259
61 3QWI NAP 0.0006874 0.41509 2.59259
62 2B4R NAD 0.001153 0.42045 2.6087
63 2B4R AES 0.003474 0.40481 2.6087
64 3WBF API 0.0009003 0.41918 2.62295
65 3WBF NAP 0.001892 0.41762 2.62295
66 1H5Q NAP 0.0008836 0.42482 2.64151
67 4MP8 NAD 0.0008019 0.42219 2.65487
68 2BH9 NAP 0.000636 0.47755 2.65957
69 2RAB NAD 0.0002115 0.46876 2.65957
70 5E4R NAP 0.001255 0.42456 2.65957
71 4TXI FAD 0.002083 0.40828 2.65957
72 2PV7 NAD 0.0003405 0.4499 2.68456
73 4TO8 FLC 0.0217 0.40998 2.73973
74 3ICC NAP 0.0004512 0.43295 2.7451
75 3WV8 ATP 0.0002525 0.48228 2.75229
76 4CJX NAP 0.0003887 0.4544 2.82132
77 4D42 NAP 0.006367 0.40042 2.83688
78 4D42 W0I 0.006367 0.40042 2.83688
79 1YB5 NAP 0.001104 0.41344 2.849
80 3TWO NDP 0.001548 0.40476 2.87356
81 3H9E NAD 0.002461 0.41864 2.89017
82 3JV7 NAD 0.001837 0.41542 2.89855
83 1HYH NAD 0.0001517 0.45368 2.91262
84 4UZI IMD 0.01324 0.41822 2.92553
85 3SQP FAD 0.02732 0.41315 2.92553
86 2C7G FAD 0.004047 0.41187 2.92553
87 2C7G ODP 0.003868 0.41187 2.92553
88 1H82 GZZ 0.006005 0.40877 2.92553
89 5I34 GDP 0.02997 0.40377 2.92553
90 2DBZ NAP 0.0001229 0.43213 2.99401
91 3LU1 NAD 0.0007936 0.4294 3.02198
92 4PNG GSF 0.0257 0.41462 3.05677
93 4YCA NDP 0.001308 0.42971 3.06122
94 4DPL NAP 0.00002537 0.48671 3.06407
95 1SB8 UD2 0.001963 0.42158 3.125
96 1SB8 NAD 0.001629 0.42118 3.125
97 2IZ1 ATR 0.001364 0.48638 3.19149
98 4R5M NAP 0.000244 0.45228 3.19149
99 4R5M 4NO 0.0003831 0.43851 3.19149
100 3UCL CYH 0.001921 0.43026 3.19149
101 3UCL FAD 0.001921 0.43026 3.19149
102 3UCL NAP 0.01136 0.40161 3.19149
103 5X20 NAD 0.0003502 0.40575 3.20513
104 3WLE NAD 0.001515 0.41094 3.22581
105 1F8F NAD 0.001585 0.42937 3.2345
106 1C3V NDP 0.00003507 0.47767 3.26531
107 1KYQ NAD 0.00005728 0.52183 3.28467
108 1CER NAD 0.001668 0.42546 3.32326
109 1WVG APR 0.0004701 0.45102 3.34262
110 2HJR APR 0.00001339 0.52386 3.35366
111 1YKF NAP 0.001459 0.41927 3.40909
112 1I36 NAP 0.000101 0.4146 3.40909
113 5UAV NDP 0.000129 0.4383 3.41615
114 5UAV TFB 0.000129 0.4383 3.41615
115 1U7T NAD 0.003018 0.41234 3.44828
116 5JCM NAD 0.0006236 0.4495 3.45745
117 5JCM ISD 0.000836 0.44449 3.45745
118 5JCM FAD 0.0008011 0.44449 3.45745
119 3NJ4 AFX 0.003015 0.4437 3.45745
120 3T31 DCQ 0.0006603 0.4431 3.45745
121 3T31 FAD 0.0005974 0.4431 3.45745
122 3NJ4 NAD 0.003424 0.44136 3.45745
123 1QMG APX 0.001556 0.43611 3.45745
124 2NAD NAD 0.000565 0.42522 3.45745
125 3L9W AMP 0.0008127 0.40888 3.45745
126 1I2B NAD 0.007704 0.40033 3.45745
127 1LLU NAD 0.0005984 0.42302 3.50877
128 2DKN NAI 0.002059 0.41618 3.52941
129 4E13 NAD 0.0001117 0.40275 3.53357
130 3B1J NAD 0.002488 0.41037 3.53982
131 1GUZ NAD 0.00006546 0.43937 3.54839
132 2Q46 NAP 0.0007115 0.43417 3.55731
133 5VKT NAP 0.001079 0.42429 3.59116
134 3BAZ NAP 0.0001124 0.4765 3.6036
135 2GCG NDP 0.0007976 0.43224 3.63636
136 1JA9 NDP 0.0005684 0.41798 3.64964
137 1YS4 NAP 0.00001419 0.432 3.67232
138 4XQC NAD 0.0001578 0.41038 3.7234
139 4FMS BDP 0.0409 0.4074 3.7234
140 5TUF FAD 0.002742 0.40384 3.7234
141 4XQC 13D 0.0002071 0.40297 3.7234
142 4XFR CIT 0.04581 0.40168 3.74707
143 4JBI NDP 0.002684 0.41999 3.78378
144 3H4V DVP 0.002061 0.41257 3.81944
145 3H4V NAP 0.00278 0.40674 3.81944
146 3CH6 NAP 0.002851 0.42144 3.84615
147 3CH6 311 0.002851 0.42144 3.84615
148 4KOA NDP 0.009217 0.41847 3.9039
149 5FI3 NAP 0.0003418 0.44343 3.92157
150 4E5N NAD 0.0001547 0.45337 3.93939
151 2YVF FAD 0.000554 0.44848 3.98936
152 2YVF NAD 0.00058 0.44848 3.98936
153 4O0L NDP 0.0004728 0.43506 4
154 1P0F NAP 0.001659 0.40171 4.02145
155 1OMO NAD 0.0003949 0.40052 4.03727
156 1LTH NAD 0.0001699 0.47299 4.07523
157 4K28 NAD 0.0001851 0.46762 4.08922
158 1VKO NAD 0.002963 0.40259 4.09683
159 5KKA 6V0 0.00006055 0.46532 4.16667
160 4GKV NAD 0.0004166 0.42868 4.16667
161 1PL6 572 0.0001405 0.43994 4.21348
162 1PL6 NAD 0.0001607 0.40476 4.21348
163 1G0N PHH 0.0005315 0.43336 4.24028
164 1G0N NDP 0.0007141 0.42521 4.24028
165 1JAY NAP 0.0001644 0.48176 4.24528
166 1DIG NAP 0.001301 0.41587 4.24837
167 1DIG L37 0.00181 0.40809 4.24837
168 3CGD COA 0.0005488 0.45916 4.25532
169 3CGD FAD 0.0005488 0.45916 4.25532
170 3CGD NAD 0.0005488 0.45916 4.25532
171 1LDM NAD 0.0003227 0.44438 4.25532
172 2QRK AMP 0.001576 0.41263 4.25532
173 1F8G NAD 0.01036 0.4038 4.25532
174 1B8U OAA 0.001825 0.40042 4.25532
175 1W73 NAP 0.008362 0.40231 4.30464
176 1AXD GGL CYW GLY 0.04793 0.40401 4.30622
177 3RJ5 NAD 0.0005623 0.40765 4.33071
178 5IN4 NAP 0.0286 0.41199 4.3956
179 5IN4 GDP 0.02741 0.41199 4.3956
180 5IN4 6CK 0.03038 0.41056 4.3956
181 1NYT NAP 0.0004449 0.452 4.42804
182 2JAP NDP 0.001386 0.41744 4.45344
183 2JAH NDP 0.002228 0.40966 4.45344
184 5LD5 NAD 0.002105 0.43053 4.46927
185 3KB6 NAD 0.0002579 0.45468 4.49102
186 2VYN NAD 0.0005824 0.40772 4.49102
187 1I0Z NAI 0.0003209 0.44448 4.5045
188 1V6A TRE 0.005017 0.45866 4.51807
189 9LDB NAD 0.0003384 0.44054 4.51807
190 9LDT NAD 0.0003536 0.42143 4.51807
191 1MO9 FAD 0.003588 0.42685 4.52128
192 1MO9 KPC 0.007634 0.41411 4.52128
193 1UXG NAD 0.0001873 0.44649 4.53074
194 5AYV KPL 0.0003061 0.43484 4.53074
195 1PZG A3D 0.0001386 0.43273 4.53172
196 2FZW NAD 0.002405 0.41106 4.55764
197 1ZQ9 SAM 0.008682 0.41633 4.5614
198 3RKR NAP 0.008106 0.43658 4.58015
199 2YVJ NAI 0.0001982 0.49169 4.58716
200 3MJE NDP 0.0004514 0.4152 4.6371
201 2YYY NAP 0.0006255 0.4071 4.66472
202 1FK8 NAD 0.001464 0.43079 4.66926
203 2O4C NAD 0.0004647 0.41802 4.73684
204 4XB2 HSE 0.00004782 0.4555 4.77612
205 4XB2 NDP 0.00001667 0.43397 4.77612
206 4ZNO SUC 0.01423 0.43074 4.77612
207 3ORF NAD 0.001133 0.4263 4.78088
208 5T2U NAP 0.002158 0.40531 4.83871
209 1WP4 NDP 0.0002403 0.45589 4.84429
210 2CVZ NDP 0.0006078 0.44313 4.84429
211 1SOW NAD 0.0002001 0.43351 4.87805
212 1M0S CIT 0.03263 0.4091 5.02283
213 1O0S NAI 0.0001423 0.48025 5.05319
214 1MUU NAD 0.0005328 0.44879 5.05319
215 5MQ6 NDP 0.00449 0.41653 5.05319
216 5MSO NAP 0.00303 0.415 5.05319
217 2OOR NAD 0.01045 0.40363 5.05319
218 4FN4 NAD 0.002749 0.40871 5.11811
219 4W6Z 8ID 0.0001955 0.44323 5.18732
220 2NU8 COA 0.0005075 0.44628 5.20833
221 2DT5 NAD 0.00004827 0.47969 5.21327
222 5DN9 NAD 0.0008971 0.41924 5.21978
223 4BVA T3 0.0001222 0.45328 5.31915
224 4BVA NDP 0.0001179 0.43901 5.31915
225 1MV8 NAD 0.0003924 0.40711 5.31915
226 4ZGS NAD 0.0003041 0.40326 5.31915
227 5U5G NAP 0.0002426 0.45238 5.42373
228 3OID NDP 0.0003006 0.43081 5.42636
229 3NGL NAP 0.004264 0.42373 5.43478
230 2PZM UDP 0.001142 0.42313 5.45455
231 2PZM NAD 0.001142 0.42313 5.45455
232 3WFD AXO 0.03841 0.4089 5.47945
233 1GV0 NAD 0.0001019 0.43629 5.48387
234 5CAE COA 0.0003008 0.46264 5.58511
235 1ZMD NAI 0.0004792 0.45068 5.58511
236 4XDZ NDP 0.0007679 0.44228 5.58511
237 3UOY NAP 0.002591 0.42647 5.58511
238 5CAE SIN 0.00143 0.41184 5.58511
239 3IP5 ALA 0.02781 0.41861 5.61798
240 5JE8 NAD 0.00008234 0.48204 5.62914
241 1A5Z NAD 0.0001041 0.49035 5.64263
242 1EDO NAP 0.0001756 0.43579 5.7377
243 4NBT NAD 0.005265 0.40027 5.83333
244 3GD4 NAD 0.0005518 0.45525 5.85106
245 1YKJ FAD 0.003985 0.41643 5.85106
246 1X14 NAD 0.0123 0.41257 5.85106
247 2XYQ SAH 0.003042 0.43727 5.86207
248 1EBF NAD 0.0001857 0.41169 5.86592
249 2DC1 NAD 0.0005136 0.40613 5.9322
250 1O8B ABF 0.02672 0.41372 5.93607
251 1R37 NAD 0.001332 0.41052 6.05187
252 5L95 AMP 0.0004537 0.47083 6.09319
253 2FR1 NDP 0.001212 0.41701 6.11702
254 1P31 EPU 0.008762 0.41614 6.11702
255 1SC6 NAD 0.001001 0.40917 6.11702
256 5ITV NAI 0.003669 0.40148 6.27451
257 1EZ4 NAD 0.0004659 0.44778 6.28931
258 3ABI NAD 0.00004583 0.47687 6.30137
259 3QH2 3NM 0.04161 0.4073 6.33484
260 3ETG GLU 0.001637 0.42544 6.38298
261 1HYE NAP 0.0000237 0.43092 6.38978
262 4RQU NAD 0.001117 0.42654 6.4
263 1Y1P NMN AMP PO4 0.004706 0.41567 6.43275
264 1XSE NDP 0.003131 0.40381 6.44068
265 2B5W NAP 0.0004651 0.42303 6.44258
266 1XG5 NAP 0.001554 0.41556 6.45161
267 1R6D NAD 0.003352 0.41348 6.52819
268 1R6D DAU 0.003375 0.41257 6.52819
269 3CMC NAD 0.01071 0.40143 6.58683
270 3A28 NAD 0.002543 0.41001 6.58915
271 1O6Z NAD 0.00001514 0.5168 6.60066
272 1SAY PYR 0.0004522 0.4274 6.6482
273 3OJO NAD 0.00005283 0.42334 6.64894
274 3ZJQ NCA 0.03001 0.40659 6.66667
275 2Q1W NAD 0.001281 0.41611 6.90691
276 2DFV NAD 0.0002459 0.41865 6.91643
277 1VI2 NAD 0.00082 0.45156 7
278 2GZ3 NAP 0.00001992 0.49461 7.10383
279 3SJ7 NDP 0.00009985 0.43351 7.14286
280 3GFB NAD 0.002389 0.41636 7.14286
281 3WMX NAD 0.003919 0.41049 7.26257
282 4R08 URI 0.01972 0.40942 7.27497
283 1NPD NAD 0.0007081 0.44712 7.29167
284 2VHW NAI 0.00008912 0.45561 7.44681
285 1GQ2 NAP 0.0002668 0.45077 7.44681
286 5EVY FAD 0.009775 0.40213 7.44681
287 3SJU NDP 0.0004411 0.4362 7.52688
288 1LDN NAD 0.0001503 0.43428 7.59494
289 4L8V NAP 0.0001082 0.43684 7.71513
290 4D79 ATP 0.001114 0.45729 7.97101
291 4RDH AMP 0.003542 0.44188 7.98611
292 4RDI ATP 0.006022 0.42364 7.98611
293 5THQ NDP 0.0004675 0.41471 8.08823
294 3C1O NAP 0.0002656 0.40248 8.09969
295 1VL8 NAP 0.0006057 0.42547 8.2397
296 5H81 NAP 0.0001436 0.48431 8.24468
297 1J5P NAD 0.0008742 0.43367 8.3004
298 2AE2 NAP 0.002295 0.40879 8.46154
299 1Z45 NAD 0.003217 0.40609 8.51064
300 3RFV 15L 0.0009324 0.43564 8.61423
301 3RFV NAI 0.001732 0.4219 8.61423
302 1NVM NAD 0.0005479 0.43265 8.65385
303 1V8B NAD 0.002686 0.40191 8.7766
304 1KEW NAD 0.003552 0.41091 8.86427
305 1KEW TYD 0.003957 0.40829 8.86427
306 3B1F NAD 0.00002655 0.51603 8.96552
307 1T26 NAI 0.000306 0.44336 9.00621
308 3WCS MAN NAG GAL 0.007837 0.43733 9.05512
309 4HXY NDP 0.0007534 0.41055 9.13242
310 3CIF G3H 0.0009441 0.41716 9.1922
311 3CIF NAD 0.0005722 0.40783 9.1922
312 2C29 NAP 0.002939 0.41015 9.19881
313 1Z82 NDP 0.004176 0.40674 9.25373
314 4J7U YTZ 0.001524 0.41745 9.375
315 4J7U NAP 0.001524 0.41745 9.375
316 4XDY NAI 0.002529 0.41816 9.46746
317 5BSH PRO 0.0009435 0.40994 9.74729
318 3OA2 NAD 0.001272 0.42433 9.74843
319 1RPN NDP 0.001894 0.40981 9.85075
320 2EV9 SKM 0.0003219 0.43839 9.88593
321 2EV9 NAP 0.0003219 0.42829 9.88593
322 1H2B NAJ 0.0006751 0.42375 10.585
323 3D3W NAP 0.0009979 0.41755 10.6557
324 1PR9 NAP 0.00152 0.40532 10.6557
325 4II2 ATP 0.01359 0.40144 10.8434
326 4XZ3 COA 0.00534 0.41332 10.8696
327 1DRV A3D 0.00002512 0.42758 11.3553
328 1IY8 NAD 0.003 0.40478 11.6105
329 4CME NAP 0.0007039 0.43435 11.8056
330 4CLO NAP 0.0009293 0.43262 11.8056
331 4CM9 NAP 0.0008185 0.42889 11.8056
332 3JQB NAP 0.001164 0.42874 11.8056
333 3BMQ NAP 0.0008684 0.4279 11.8056
334 5JCJ NAP 0.001071 0.42725 11.8056
335 3BMO NAP 0.001075 0.42719 11.8056
336 4CM4 NAP 0.001147 0.42608 11.8056
337 5JDC NAP 0.001174 0.42569 11.8056
338 3JQ8 NAP 0.001001 0.42553 11.8056
339 3JQA NAP 0.001439 0.4251 11.8056
340 3JQF NAP 0.00103 0.42506 11.8056
341 4CM8 NAP 0.001243 0.42472 11.8056
342 3JQG NAP 0.001529 0.42405 11.8056
343 4CLR NAP 0.001301 0.42396 11.8056
344 3BMN NAP 0.001122 0.42364 11.8056
345 4CMI NAP 0.001531 0.42119 11.8056
346 3JQ7 NAP 0.003699 0.40883 11.8056
347 5K6A NAP 0.000887 0.40541 11.8056
348 3JQ9 NAP 0.001181 0.40069 11.8056
349 3I6I NDP 0.000296 0.418 11.8497
350 1DXY NAD 0.0002371 0.41397 12.012
351 1VM6 NAD 0.00005045 0.43073 12.2807
352 1CF2 NAP 0.0001594 0.42026 12.4629
353 4CQM NAP 0.002388 0.41106 12.7049
354 2QZZ EMF 0.001722 0.41121 12.8931
355 2QZZ NAP 0.001709 0.4102 12.8931
356 3VPH NAD 0.0003162 0.43579 12.9032
357 3VPH OXM 0.0008081 0.41437 12.9032
358 1ZEM NAD 0.0008567 0.43712 13.3588
359 2BD0 NAP 0.001208 0.41706 13.9344
360 1P77 ATR 0.0001487 0.53918 13.9706
361 1RKX NAD 0.0008755 0.42497 14.0056
362 1J49 NAD 0.0004236 0.41395 14.4144
363 1O94 ADP 0.001481 0.43374 14.6277
364 3QV1 NAD 0.001064 0.43648 14.6341
365 4KWI NAP 0.0001539 0.42037 15.5894
366 4KWI 1TJ 0.0001444 0.41784 15.5894
367 1EK6 UPG 0.002073 0.4231 15.8046
368 5VN0 NAI 0.0008653 0.43694 16.7553
369 1TB4 PEJ 0.0004202 0.43999 17.7898
370 3GGO NAI 0.001137 0.42113 18.1529
371 3GGO ENO 0.001137 0.42113 18.1529
372 5N2I NAP 0.00008684 0.40896 18.5345
373 5GVR LMR 0.04194 0.41827 19.2308
374 4TQG NDP 0.0008386 0.40402 19.8142
375 3TN7 NJP 0.001507 0.40054 24.5136
376 2CVQ NDP 0.0004842 0.44068 27.2171
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