Receptor
PDB id Resolution Class Description Source Keywords
2AHR 2.15 Å EC: 1.5.1.2 CRYSTAL STRUCTURES OF 1-PYRROLINE-5-CARBOXYLATE REDUCTASE FR PATHOGEN STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES 1-PYRROLINE-5-CARBOXYLATE REDUCTASE PYRROLINE-5-CARBOXYLATEREDUCTASE PYRROLINE REDUCTASE PROLINE BIOSYNTHESIS NAD(PPROTEIN ROSSMANN FOLD DOAIN SWAPPING HUMAN PATHOGEN STREPTOCOCCUS PYOGENES STRUCTURAL GENOMICS MCSG PSI PROSTRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF DELTA(1)-PYRROLINE-5-CARBOXYL REDUCTASE FROM HUMAN PATHOGENS NEISSERIA MENINGITID STREPTOCOCCUS PYOGENES J.MOL.BIOL. V. 354 91 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:1508;
B:1509;
C:1510;
D:1511;
E:1512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
NA A:1257;
B:1258;
C:1259;
D:1260;
E:1261;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
NAP A:1500;
B:1501;
C:1502;
D:1503;
E:1504;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AHR 2.15 Å EC: 1.5.1.2 CRYSTAL STRUCTURES OF 1-PYRROLINE-5-CARBOXYLATE REDUCTASE FR PATHOGEN STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES 1-PYRROLINE-5-CARBOXYLATE REDUCTASE PYRROLINE-5-CARBOXYLATEREDUCTASE PYRROLINE REDUCTASE PROLINE BIOSYNTHESIS NAD(PPROTEIN ROSSMANN FOLD DOAIN SWAPPING HUMAN PATHOGEN STREPTOCOCCUS PYOGENES STRUCTURAL GENOMICS MCSG PSI PROSTRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF DELTA(1)-PYRROLINE-5-CARBOXYL REDUCTASE FROM HUMAN PATHOGENS NEISSERIA MENINGITID STREPTOCOCCUS PYOGENES J.MOL.BIOL. V. 354 91 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
5 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5UAV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 5UAU - PRO C5 H9 N O2 C1C[C@H](N....
8 2IZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5UAT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: 166
This union binding pocket(no: 1) in the query (biounit: 2ahr.bio4) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z82 NDP 0.001648 0.41745 None
2 2AE2 PTO 0.0006156 0.4098 None
3 2AE2 NAP 0.0006156 0.4098 None
4 1LDN NAD 0.002711 0.40513 1.1583
5 4EA7 COA 0.00003997 0.46672 1.36364
6 4EA7 JB2 0.0024 0.41774 1.36364
7 1NF8 BOG 0.04439 0.4038 1.44928
8 1YKJ FAD 0.01235 0.4051 1.5444
9 3DAG FEG 0.0001505 0.43497 1.9305
10 3Q3C NAD 0.0001856 0.42982 1.9305
11 1LTH NAD 0.001427 0.40897 1.9305
12 1FL2 FAD 0.005037 0.40408 1.9305
13 1N1G BCP 0.001633 0.41862 2.3166
14 1TDF NAP 0.002442 0.41357 2.3166
15 1H82 GZZ 0.008037 0.41224 2.3166
16 1RM4 NDP 0.001203 0.41092 2.3166
17 3QV1 NAD 0.001499 0.41031 2.3166
18 3K7M FAD 0.007451 0.40865 2.3166
19 1REO FAD 0.005689 0.402 2.3166
20 4IXW IXW 0.007125 0.41803 2.3622
21 1Z44 NPO 0.0004636 0.53948 2.7027
22 2NCD ADP 0.001399 0.46001 2.7027
23 4B63 NAP 0.002202 0.43874 2.7027
24 3MAG SAH 0.0004606 0.43253 2.7027
25 3MAG 3MA 0.03975 0.42135 2.7027
26 1Q0H NDP 0.0005897 0.41766 2.7027
27 1Q0H FOM 0.0005081 0.41766 2.7027
28 4E13 NAD 0.0004721 0.40745 2.7027
29 2RH4 EMO 0.00156 0.4028 2.7027
30 3LXD FAD 0.004801 0.40057 2.7027
31 4KQW NAP 0.0005611 0.43518 3.0888
32 1Y42 TYR 0.00625 0.42539 3.0888
33 1T26 GBD 0.002805 0.42155 3.0888
34 1EZ4 NAD 0.000702 0.41722 3.0888
35 3CIF NAD 0.001064 0.41596 3.0888
36 3WBF NAP 0.001463 0.4107 3.0888
37 3WBF API 0.002263 0.4107 3.0888
38 3CIF G3H 0.002665 0.40799 3.0888
39 2VHW NAI 0.004364 0.4033 3.0888
40 1T26 NAI 0.006263 0.40329 3.0888
41 2I3G NAP 0.003337 0.40172 3.0888
42 1Q1R FAD 0.005434 0.4007 3.0888
43 1UWK URO 0.008599 0.4005 3.0888
44 1SS4 GSH 0.01127 0.46875 3.26797
45 1UXG FUM 0.000002493 0.47814 3.4749
46 1UXG NAD 0.0008832 0.43252 3.4749
47 1CER NAD 0.001453 0.42252 3.4749
48 3VPH NAD 0.001162 0.42176 3.4749
49 1DXY NAD 0.0009785 0.41142 3.4749
50 4K28 NAD 0.001092 0.40703 3.4749
51 3VPH OXM 0.003594 0.40542 3.4749
52 2HJR APR 0.0009238 0.40441 3.4749
53 4YCA NDP 0.01907 0.40415 3.4749
54 2IXB A2G 0.001025 0.43 3.861
55 2IXB NAD 0.0006477 0.42866 3.861
56 3FPZ AHZ 0.003835 0.41066 3.861
57 3O03 NAP 0.002163 0.40694 3.861
58 3KB6 NAD 0.001827 0.40407 3.861
59 9LDB NAD 0.00337 0.40156 3.861
60 1DSS NAD 0.001397 0.40156 3.861
61 3H9E NAD 0.001896 0.40028 3.861
62 1V8B NAD 0.005298 0.40004 3.861
63 1M2W NAD 0.001017 0.43851 4.2471
64 3BAZ NAP 0.001133 0.42994 4.2471
65 1A5Z NAD 0.000126 0.428 4.2471
66 2CVZ NDP 0.0003529 0.4268 4.2471
67 4TSK NDP 0.0005422 0.42006 4.2471
68 1WP4 NDP 0.0006215 0.41987 4.2471
69 1LJ8 NAD 0.0006103 0.4034 4.2471
70 2Q37 3AL 0.01713 0.41088 4.41989
71 1V6A TRE 0.0004537 0.48203 4.6332
72 1YJQ NAP 0.00004503 0.47563 4.6332
73 1OMO NAD 0.00007719 0.44233 4.6332
74 1NVM NAD 0.0005088 0.43262 4.6332
75 2NPX NAD 0.0005513 0.42654 4.6332
76 1MV8 NAD 0.0003865 0.42539 4.6332
77 4MP8 MLI 0.0001544 0.42394 4.6332
78 3OND ADN 0.0004356 0.4217 4.6332
79 1MUU NAD 0.0004253 0.42109 4.6332
80 4FWE FAD 0.00456 0.40969 4.6332
81 2NPX FAD 0.0006944 0.40476 4.6332
82 2WET FAD 0.006349 0.4021 4.6332
83 3ICC NAP 0.0003036 0.40855 4.70588
84 1G8S MET 0.01287 0.42175 4.78261
85 2DTX BMA 0.0005143 0.41098 5.01931
86 3S9K CIT 0.003314 0.51175 5.08475
87 2V6O FAD 0.001034 0.42709 5.40541
88 1HYH NAD 0.001653 0.41327 5.40541
89 1YY5 FAD 0.005271 0.40811 5.40541
90 1RSG FAD 0.004961 0.4073 5.40541
91 2Z3Y F2N 0.006985 0.40233 5.40541
92 3HAD NAD 0.002213 0.42679 5.79151
93 1GR0 NAD 0.001722 0.4165 5.79151
94 2AQJ TRP 0.01341 0.40101 6.17761
95 2AQJ FAD 0.01392 0.40101 6.17761
96 3OJO NAD 0.00006489 0.44207 6.56371
97 4E5N NAD 0.0003975 0.43668 6.56371
98 2F2U M77 0.006059 0.41638 6.56371
99 2B4R NAD 0.002543 0.40619 6.56371
100 2B4R AES 0.003172 0.40122 6.56371
101 2BGM NAJ 0.002192 0.40676 6.94981
102 3B20 NAD 0.000808 0.41023 7.07965
103 3B1J NAD 0.003302 0.40056 7.07965
104 4JJF N2I 0.0005605 0.42956 7.33591
105 4JJF FE9 0.0005565 0.42293 7.33591
106 1EBF NAD 0.0002927 0.42282 7.33591
107 2YG3 FAD 0.002568 0.41659 7.33591
108 3F8D FAD 0.01647 0.404 7.33591
109 1RYI GOA 0.0004188 0.41812 7.59162
110 1RYI FAD 0.0004517 0.41713 7.59162
111 3T31 FAD 0.002413 0.42943 7.72201
112 3T31 DCQ 0.002812 0.42825 7.72201
113 2GCG NDP 0.001341 0.41214 7.72201
114 3OA2 NAD 0.003841 0.40057 7.72201
115 4JK3 NAD 0.0002452 0.43243 8.10811
116 4J4H NAI 0.001876 0.42787 8.10811
117 4J4H 1J1 0.001633 0.4274 8.10811
118 1SC6 NAD 0.002217 0.40976 8.10811
119 3CMC NAD 0.01156 0.40818 8.10811
120 2NU8 COA 0.0001999 0.43575 8.49421
121 3L4S 3PG 0.003439 0.40376 8.49421
122 3L4S NAD 0.003189 0.40376 8.49421
123 1I36 NAP 0.00008349 0.4357 8.88031
124 4BJZ FAD 0.0006006 0.43352 8.88031
125 4BJZ P3A 0.0006006 0.43352 8.88031
126 1HDG NAD 0.002443 0.41648 8.88031
127 1MO9 FAD 0.0144 0.41023 8.88031
128 1GAD NAD 0.001154 0.40781 8.88031
129 1ZH8 NAP 0.001552 0.4063 8.88031
130 1MO9 KPC 0.02515 0.40027 8.88031
131 2O4C NAD 0.003316 0.40182 9.26641
132 2PV7 NAD 0.00001862 0.47666 9.65251
133 2F1K NAP 0.00001587 0.47465 10.0386
134 2G5C NAD 0.0003132 0.43907 10.0386
135 3SHR CMP 0.002378 0.43307 10.0386
136 4L8V NAP 0.001018 0.4198 10.0386
137 1HKU NAD 0.0009614 0.41634 10.0386
138 2DBZ NAP 0.001172 0.41349 10.0386
139 1BW9 NAD 0.001588 0.43381 10.4247
140 3GGO NAI 0.001117 0.43186 10.4247
141 1C1X NAD 0.001396 0.42322 10.4247
142 1RYD NDP 0.001622 0.4211 10.4247
143 1H6C NDP 0.001984 0.4177 10.4247
144 1BXG NAD 0.0008151 0.41344 10.4247
145 1H6C SIN 0.005502 0.40257 10.4247
146 2NAD NAD 0.0009673 0.42738 10.8108
147 1DLJ NAI 0.002813 0.42344 10.8108
148 1DLJ UGA 0.006455 0.40885 10.8108
149 2YYY NAP 0.000813 0.42058 11.1969
150 4GUS FAD 0.003265 0.4164 11.2903
151 4HSU FAD 0.004467 0.41097 11.2903
152 4GUT FAD 0.005231 0.41002 11.2903
153 1PEA ACM 0.01454 0.43103 11.583
154 1J49 NAD 0.001036 0.41645 11.583
155 1JAY NAP 0.00005704 0.4383 11.7925
156 4PLG OXM 0.00003045 0.44466 11.9691
157 4PLG NAI 0.003504 0.4081 11.9691
158 1R6D NAD 0.002879 0.40068 11.9691
159 2DT5 NAD 0.00006567 0.46086 13.2701
160 1CF2 NAP 0.0005067 0.42229 13.8996
161 3F81 STT 0.007668 0.45238 17.4863
162 3ULK NDP 0.000003335 0.43591 21.2355
163 3B1F NAD 0.00003833 0.44389 21.6216
164 2E1A MSE 0.002899 0.43458 28
165 2GSD NAD 0.001068 0.42572 29.3436
166 2AG8 NAP 0.00000007157 0.52433 46.3878
Pocket No.: 2; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2ahr.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: 166
This union binding pocket(no: 3) in the query (biounit: 2ahr.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KEV NDP 0.001195 0.41987 1.5444
2 1YKJ PHB 0.004847 0.4197 1.5444
3 3CGD FAD 0.01264 0.41006 1.5444
4 3CGD NAD 0.01264 0.41006 1.5444
5 3CGD COA 0.01264 0.41006 1.5444
6 3NJ4 NAD 0.006296 0.43657 1.9305
7 3NJ4 AFX 0.015 0.41991 1.9305
8 2NVK FAD 0.006266 0.40006 1.9305
9 5E4R NAP 0.0001704 0.44114 2.3166
10 5A04 BGC 0.001683 0.4378 2.3166
11 5A04 NDP 0.001355 0.4378 2.3166
12 1H82 FAD 0.001663 0.43421 2.3166
13 5M67 3D1 0.001673 0.42906 2.3166
14 5M67 ADE 0.001779 0.428 2.3166
15 5M67 NAD 0.001802 0.42777 2.3166
16 4XDZ NDP 0.0003612 0.41905 2.3166
17 1RM0 D6P 0.004467 0.41212 2.3166
18 4D3F NAP 0.0003592 0.40955 2.3166
19 1RM0 NAI 0.004471 0.4095 2.3166
20 2JHF NAD 0.03326 0.40847 2.3166
21 5JCM NAD 0.01166 0.40529 2.3166
22 5JCM ISD 0.01166 0.40529 2.3166
23 5JCM FAD 0.01126 0.40529 2.3166
24 2WPF FAD 0.02389 0.40433 2.3166
25 1WPQ NAD 0.0004739 0.40419 2.3166
26 2IVD FAD 0.003823 0.40312 2.3166
27 4KP7 1UQ 0.00185 0.42265 2.7027
28 4KP7 NAP 0.002313 0.42259 2.7027
29 2CDC XYP 0.005259 0.41956 2.7027
30 5G3U FDA 0.001903 0.41694 2.7027
31 2CDC NAP 0.007389 0.41347 2.7027
32 2CDC XYS 0.007389 0.41347 2.7027
33 3WQQ IB3 0.002911 0.41299 2.7027
34 3WQQ NDP 0.002911 0.41299 2.7027
35 2RAB NAD 0.008014 0.41265 2.7027
36 5G3U ITW 0.003896 0.41094 2.7027
37 3E1T FAD 0.004275 0.40843 2.7027
38 1YKF NAP 0.001611 0.40829 2.7027
39 3V1Y NAD 0.001295 0.40248 2.7027
40 2QZZ NAP 0.004482 0.40158 2.7027
41 2QZZ EMF 0.00478 0.40158 2.7027
42 4M73 M72 0.004613 0.40111 2.7027
43 5MBX SP5 0.00285 0.42399 3.0888
44 5MBX FAD 0.00285 0.42399 3.0888
45 1UWK NAD 0.003602 0.4132 3.0888
46 4ZCC FAD 0.0084 0.4028 3.0888
47 4ZCC NAI 0.0084 0.4028 3.0888
48 1LDM NAD 0.002358 0.40254 3.0888
49 1X7D ORN 0.0002172 0.45182 3.4749
50 1X7D NAD 0.0006695 0.41913 3.4749
51 1J0X NAD 0.002308 0.4189 3.4749
52 4OPC PGT 0.01357 0.41876 3.4749
53 4OPC FDA 0.01311 0.4165 3.4749
54 4ZGS NAD 0.0003639 0.4146 3.4749
55 4XYB NDP 0.0008478 0.41012 3.4749
56 2VVL FAD 0.004296 0.40643 3.4749
57 2E5V FAD 0.006119 0.40414 3.4749
58 2VVM FAD 0.004702 0.40391 3.4749
59 3TWO NDP 0.001599 0.41634 3.861
60 4ZVV NAD 0.006435 0.41262 3.861
61 4ZVV GN0 0.006435 0.41262 3.861
62 1GQ2 NAP 0.001033 0.41246 3.861
63 1F06 2NP 0.001913 0.41216 3.861
64 1F06 NDP 0.001913 0.41216 3.861
65 3NYC IAR 0.005419 0.41042 3.861
66 3NYC FAD 0.005419 0.41042 3.861
67 1RP0 AHZ 0.002413 0.40584 3.861
68 9LDT NAD 0.002581 0.40344 3.861
69 5GUD NDP 0.004821 0.40248 3.861
70 1QO8 FAD 0.005762 0.40243 3.861
71 5CAE SIN 0.0004687 0.43385 4.2471
72 5CAE COA 0.0001476 0.42937 4.2471
73 1GET NAP 0.007033 0.41622 4.2471
74 3JV7 NAD 0.001748 0.41235 4.2471
75 1GET FAD 0.01015 0.40839 4.2471
76 1JNR FAD 0.01315 0.40775 4.2471
77 5J60 FAD 0.004977 0.40296 4.2471
78 5JY6 NAD 0.00852 0.40177 4.2471
79 3QVP FAD 0.006485 0.40135 4.2471
80 2GAG FAD 0.007248 0.40124 4.2471
81 2GAG FOA 0.007248 0.40124 4.2471
82 4MP8 NAD 0.001209 0.42334 4.6332
83 3OND NAD 0.002367 0.42219 4.6332
84 5TTJ FAD 0.002265 0.41512 4.6332
85 3AYI HCI 0.005342 0.41223 4.6332
86 3AYI FAD 0.005109 0.41223 4.6332
87 5KMS NAD 0.009448 0.40513 4.6332
88 1YQD NAP 0.001635 0.41347 4.91803
89 3ABI NAD 0.0003429 0.43309 5.01931
90 2GZ3 NAP 0.001442 0.43162 5.01931
91 2X3N FAD 0.002512 0.41121 5.01931
92 2CUL FAD 0.001846 0.41397 5.17241
93 4DPL NAP 0.000585 0.42481 5.40541
94 1GTE FAD 0.006713 0.41256 5.40541
95 3KLJ FAD 0.002126 0.40918 5.40541
96 1XHC FAD 0.003711 0.40361 5.72207
97 5U8U FAD 0.001762 0.43911 5.79151
98 2ZJ1 ARJ 0.003067 0.4203 5.79151
99 2ZJ1 NAD 0.003194 0.41959 5.79151
100 4EDF UPG 0.007752 0.40178 5.79151
101 5T9E NAP 0.00002662 0.45967 5.90406
102 1C3V NDP 0.002832 0.40193 6.12245
103 5FI3 NAP 0.001941 0.40547 6.16247
104 5VKT NAP 0.002454 0.40158 6.35359
105 5BUK FAD 0.00202 0.42213 6.56371
106 1BZL FAD 0.01648 0.41176 6.56371
107 4XB2 HSE 0.001806 0.41054 6.56371
108 2FZW NAD 0.004526 0.40746 6.56371
109 4XB2 NDP 0.0004826 0.40654 6.56371
110 2X1L ADN 0.02144 0.40428 6.56371
111 3WLE NAD 0.001994 0.41389 6.74487
112 5JE8 NAD 0.0001352 0.46873 6.94981
113 2YVF FAD 0.001816 0.43572 6.94981
114 2YVF NAD 0.001892 0.43572 6.94981
115 4XQC 13D 0.001524 0.42692 6.94981
116 4XQC NAD 0.002349 0.4186 6.94981
117 3ETG NDP 0.009829 0.40158 6.94981
118 3ETG GLU 0.009896 0.40146 6.94981
119 5AYV KPL 0.00003721 0.47819 7.33591
120 5AYV NAP 0.00001094 0.46276 7.33591
121 1LLU NAD 0.0007916 0.42662 7.33591
122 1FEC FAD 0.007079 0.4025 7.33591
123 4GKV NAD 0.001191 0.41993 7.72201
124 3FWN ATR 0.002727 0.40635 7.72201
125 5N2I NAP 0.0001065 0.42002 7.75862
126 5U5G NAP 0.0001051 0.44873 8.10811
127 1SOW NAD 0.002482 0.40538 8.10811
128 3UCL FAD 0.01178 0.40511 8.10811
129 3UCL CYH 0.01178 0.40511 8.10811
130 3UCL NAP 0.01302 0.40511 8.10811
131 2DFV NAD 0.0008519 0.41235 8.49421
132 5T9F TYR 0.00004229 0.47895 8.85609
133 5T9F NAP 0.00005631 0.47281 8.85609
134 2VYN NAD 0.001093 0.41154 8.88031
135 5N53 8NB 0.01248 0.43547 9.23077
136 4YRY NAD 0.006085 0.40996 9.65251
137 4YRY FAD 0.00617 0.40127 9.65251
138 5ODQ FAD 0.004349 0.40719 10.0386
139 2Y6Q FAD 0.003167 0.40142 10.0386
140 3A6T 8OG 0.02172 0.40071 10.0775
141 5JCA FAD 0.004688 0.40592 10.2113
142 5JCA NDP 0.01012 0.40592 10.2113
143 3RJ5 NAD 0.002995 0.40938 10.2362
144 3GGO ENO 0.0001101 0.46814 10.4247
145 1H2B NAJ 0.001076 0.42029 10.4247
146 4EMI NAD 0.009957 0.40556 10.8108
147 2C7G FAD 0.002695 0.42575 11.1969
148 2C7G ODP 0.002777 0.42444 11.1969
149 1TV5 ORO 0.02471 0.41798 11.1969
150 5KVS NAP 0.0006571 0.40626 11.1969
151 5KVS 6XR 0.002828 0.40452 11.1969
152 4MOP 2H5 0.008775 0.40281 11.1969
153 5DN9 NAD 0.0004617 0.43409 12.3552
154 4BV6 FAD 0.003819 0.40841 12.3552
155 4OOE NDP 0.01596 0.40473 12.3552
156 4OOE FOM 0.01596 0.40473 12.3552
157 3GD4 NAD 0.0187 0.4013 12.3552
158 3GD4 FAD 0.01183 0.40116 12.3552
159 3ZNN FAD 0.01028 0.40295 12.7413
160 3ZNN 4WL 0.01028 0.40295 12.7413
161 1E1M FAD 0.008936 0.40324 13.5135
162 1E1M NAP 0.008936 0.40324 13.5135
163 4XDY NAI 0.00009829 0.44295 14.2857
164 5X20 NAD 0.0001953 0.42669 14.6718
165 2HK9 NAP 0.000863 0.40919 16.2162
166 4YSX FAD 0.003706 0.40792 19.8718
Pocket No.: 4; Query (leader) PDB : 2AHR; Ligand: NAP; 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: 2ahr.bio3) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: 78
This union binding pocket(no: 5) in the query (biounit: 2ahr.bio3) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WPF WPF 0.02687 0.40718 2.3166
2 1D4D FAD 0.007517 0.40336 2.3166
3 5EOW FAD 0.004655 0.40236 2.3166
4 4M73 SAH 0.003324 0.4104 2.7027
5 4AP3 FAD 0.01085 0.40835 2.7027
6 4AP3 NAP 0.01085 0.40835 2.7027
7 4JDR FAD 0.005384 0.40732 2.7027
8 2Q7V FAD 0.006253 0.40471 2.7027
9 1X87 NAD 0.0009691 0.40381 2.7027
10 3RNM FAD 0.007542 0.4033 2.7027
11 2RGO FAD 0.00608 0.40115 2.7027
12 1ZMD FAD 0.008873 0.40045 2.7027
13 3CTY FAD 0.008864 0.40135 2.82132
14 3AXB FAD 0.003877 0.40888 2.90179
15 3AXB PRO 0.005911 0.40665 2.90179
16 5LD5 NAD 0.001168 0.4031 3.0888
17 1Q9I TEO 0.005045 0.42022 3.15236
18 1P0F NAP 0.003066 0.40695 3.4749
19 1NAA 6FA 0.007399 0.40453 3.4749
20 4K5S FAD 0.00397 0.40385 3.4749
21 4K5S PM0 0.009304 0.40385 3.4749
22 4J36 FAD 0.004591 0.40375 3.4749
23 4J36 1HR 0.00735 0.40375 3.4749
24 5MZI FAD 0.01416 0.40281 3.4749
25 5MZI FYK 0.01468 0.40281 3.4749
26 2YIP YIO 0.04275 0.40204 3.62319
27 1K3T BRZ 0.002831 0.40956 3.861
28 5BVA FAD 0.005876 0.40859 3.861
29 1PZG A3D 0.004342 0.40693 3.861
30 1GPE FAD 0.007899 0.40426 3.861
31 1GV0 NAD 0.003126 0.404 3.861
32 3GFB NAD 0.00385 0.40173 3.861
33 1I0Z NAI 0.003885 0.40038 3.861
34 2QRK AMP 0.00677 0.40035 3.861
35 4MIG G3F 0.01142 0.4002 3.861
36 2GAG NAD 0.004413 0.40666 4.2471
37 3OZ2 FAD 0.004013 0.41144 4.6332
38 1G0N NDP 0.005362 0.40437 4.6332
39 1PN0 IPH 0.01083 0.40114 4.6332
40 1PN0 FAD 0.01035 0.40114 4.6332
41 1J5P NAD 0.002408 0.40452 4.74308
42 3AD8 FAD 0.01926 0.40087 4.92611
43 3AD8 PYC 0.01926 0.40087 4.92611
44 4HA6 FAD 0.007188 0.40414 5.01931
45 4D04 FAD 0.01707 0.4013 5.01931
46 4D04 NAP 0.01707 0.4013 5.01931
47 1U1I NAD 0.003301 0.40818 5.40541
48 1LVL FAD 0.006199 0.40674 5.40541
49 4C3Y FAD 0.005616 0.40658 5.40541
50 3UOY FAD 0.01605 0.40485 5.40541
51 3UOY NAP 0.01605 0.40485 5.40541
52 4CNK FAD 0.006399 0.40431 5.40541
53 4YNU FAD 0.007922 0.40333 5.40541
54 1E5Q NDP 0.003562 0.40045 5.40541
55 4NTD FAD 0.005463 0.40405 5.79151
56 1WDK NAD 0.001163 0.40352 6.17761
57 3AB1 FAD 0.007358 0.40091 6.17761
58 2D2I NAP 0.00143 0.40385 6.31579
59 4Z24 FAD 0.006349 0.4054 6.56371
60 2YVJ FAD 0.004032 0.4082 6.94981
61 3LZW FAD 0.004132 0.40886 7.72201
62 3LZW NAP 0.009801 0.40886 7.72201
63 1N4W FAD 0.005979 0.40738 7.72201
64 4X9M FAD 0.006318 0.40356 7.72201
65 2EV9 SKM 0.004546 0.40034 7.98479
66 2EV9 NAP 0.004546 0.40034 7.98479
67 5JWC FAD 0.003915 0.40646 8.10811
68 5H81 NAP 0.001197 0.40068 8.10811
69 4JNA FAD 0.007835 0.40172 8.49421
70 2CDU FAD 0.004265 0.40614 9.26641
71 4USQ FAD 0.004673 0.40229 9.26641
72 2Y6Q I7T 0.004572 0.4148 10.0386
73 5GZ6 7C3 0.001013 0.40312 11.9691
74 5GZ6 NDP 0.0006233 0.40288 11.9691
75 5J7X FAD 0.006561 0.40089 11.9691
76 2F5Z FAD 0.007852 0.40349 14.0625
77 1KNR FAD 0.003277 0.41495 15.0579
78 2IZ1 ATR 0.004441 0.40073 15.0579
Pocket No.: 6; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2ahr.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2ahr.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found: 87
This union binding pocket(no: 10) in the query (biounit: 2ahr.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QLX RM4 0.007074 0.44132 None
2 1M5B BN1 0.0001882 0.43727 None
3 1N9L FMN 0.004731 0.40199 None
4 4FR3 LYS ARG ARG LYS SEP VAL 0.003677 0.40471 0.854701
5 2YC5 6BC 0.0001109 0.42209 1.31579
6 2X61 NGA GAL SIA 0.002972 0.4001 1.55039
7 2PT9 2MH 0.00001893 0.44239 1.9305
8 3GWT 066 0.0001571 0.41194 1.9305
9 1I2B NAD 0.001205 0.41064 1.9305
10 1I2B UPG 0.001205 0.41064 1.9305
11 1I2B USQ 0.001205 0.41064 1.9305
12 1ME8 RVP 0.005546 0.40302 1.9305
13 1PR9 NAP 0.00008695 0.42218 2.04918
14 3D3W NAP 0.0002392 0.40687 2.04918
15 1WDA BAG 0.003121 0.43455 2.3166
16 1C0I BE2 0.0001291 0.43249 2.3166
17 1C0I FAD 0.0001291 0.43249 2.3166
18 2RL1 UD1 0.0003411 0.41891 2.3166
19 2ZB3 NDP 0.0001042 0.41174 2.3166
20 1LGT BP3 0.01664 0.40172 2.3166
21 2ORV 4TA 0.00007054 0.40385 2.5641
22 1T8U UAP SGN IDS SGN 0.00006167 0.4335 2.7027
23 3F3E LEU 0.0002243 0.41602 2.7027
24 4RJK TPP 0.00007475 0.41408 2.7027
25 4RJK TDL 0.0001322 0.412 2.7027
26 1GSA ADP 0.001044 0.40728 2.7027
27 3UXL CFI 0.008472 0.40107 2.7027
28 1HDR NAD 0.0004186 0.42021 2.86885
29 1GEE NAD 0.00004655 0.42662 3.0888
30 3FC4 EDO 0.0003469 0.42641 3.0888
31 1QF5 GDP 0.0007337 0.4119 3.0888
32 1QF5 RPL 0.0007337 0.4119 3.0888
33 1D6H COA 0.0006557 0.40936 3.0888
34 1ZFJ IMP 0.000791 0.40695 3.0888
35 1SB8 UD2 0.001851 0.40327 3.0888
36 1E8G FAD 0.00861 0.40272 3.0888
37 1E8G FCR 0.008076 0.40272 3.0888
38 1K97 CIR 0.006413 0.40204 3.0888
39 1K97 ASP 0.006413 0.40204 3.0888
40 1NJR XYL 0.0002487 0.40028 3.0888
41 2QTR NXX 0.0003622 0.40187 3.1746
42 1SS4 CIT 0.00003698 0.59951 3.26797
43 1YBH FAD 0.002633 0.41691 3.4749
44 3GX0 GDS 0.002873 0.40615 3.72093
45 2BNF UTP 0.0008483 0.40058 3.73444
46 1MXI SAH 0.0009018 0.42788 3.75
47 1V7R CIT 0.04151 0.42143 3.76344
48 1D7O TCL 0.001213 0.42576 3.861
49 1D7O NAD 0.001213 0.42576 3.861
50 1EXB NDP 0.004283 0.4032 3.861
51 1CX9 NHP 0.003484 0.40962 4.10448
52 1X1T NAD 0.0001802 0.44741 4.2471
53 3HB5 E2B 0.0003958 0.42048 4.2471
54 3RFV NAI 0.0000583 0.41606 4.2471
55 2RHQ GAX 0.001137 0.41278 4.2471
56 2WA4 069 0.005946 0.41364 4.6332
57 1RKD RIB 0.0002527 0.4077 4.6332
58 1RKD ADP 0.0002527 0.4077 4.6332
59 1Q3Q ANP 0.002095 0.40481 4.6332
60 4TMK T5A 0.006197 0.41321 5.16432
61 4KGD FAD 0.0004274 0.43467 5.40541
62 4KGD TDP 0.0005382 0.43076 5.40541
63 3A2Y TS5 0.001995 0.41944 5.58376
64 4OYA 1VE 0.003381 0.41825 5.79151
65 1W7J ADP BEF 0.004362 0.4069 5.79151
66 4CKU P2F 0.0004621 0.41794 6.17761
67 3ZV6 NAD 0.0006214 0.40791 6.17761
68 3ZV6 4HB 0.0006765 0.40791 6.17761
69 1ZK4 AC0 0.0007258 0.43185 6.3745
70 4Q0A 4OA 0.002776 0.41032 6.56371
71 1SJD NPG 0.00108 0.40662 6.56371
72 1SJW NGV 0.004483 0.41028 6.94444
73 3DGB MUC 0.003535 0.42269 7.33591
74 3Q9T FAY 0.0003667 0.41111 7.33591
75 2GN4 NDP 0.02026 0.40789 7.33591
76 4DEM YS4 0.0009791 0.42881 7.72201
77 1FIQ SAL 0.000203 0.41036 7.72201
78 2Q2V NAD 0.00003206 0.43112 8.62745
79 1V5F TPP 0.01644 0.40715 9.26641
80 1V5F FAD 0.01644 0.40715 9.26641
81 1NVV GNP 0.001572 0.40709 9.63855
82 4G87 UD1 0.0004708 0.41621 9.65251
83 2BTO GTP 0.00003825 0.4395 11.9691
84 2XVE FAD 0.002215 0.40703 12.3552
85 1NNU TCT 0.003054 0.41262 15.7205
86 1NNU NAD 0.00345 0.41088 15.7205
87 4E28 0MZ 0.01913 0.40989 20.0772
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