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Receptor
PDB id Resolution Class Description Source Keywords
2O2R 2.2 Å EC: 1.5.1.6 CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF RAT 10'FORMYLTETRAHYDROFOLATE DEHYDROGENASE IN COMPLEX WITH NAD RATTUS NORVEGICUS ALDEHYDE DEHYDROGENASE FDH OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF THE CARBOXYL TERMINAL DOMAIN 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE: IMPLICATIO THE CATALYTIC MECHANISM OF ALDEHYDE DEHYDROGENASES. BIOCHEMISTRY V. 46 2917 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3001;
B:3002;
C:3003;
D:3004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NDP A:903;
B:903;
C:903;
D:903;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
SO4 A:2002;
A:2006;
A:2011;
A:2015;
A:2019;
B:2003;
B:2005;
B:2009;
B:2014;
B:2020;
C:2001;
C:2007;
C:2010;
C:2013;
C:2017;
C:2018;
D:2004;
D:2008;
D:2012;
D:2016;
D:2021;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RHJ 1.89 Å EC: 1.5.1.6 CRYSTAL STRUCTURE OF THE E673A MUTANT OF THE C-TERMINAL DOMA 10'FORMYLTETRAHYDROFOLATE DEHYDROGENASE IN COMPLEX WITH CO-N ADP RATTUS NORVEGICUS FDH OXIDOREDUCTASE
Ref.: CONSERVED CATALYTIC RESIDUES OF THE ALDH1L1 ALDEHYD DEHYDROGENASE DOMAIN CONTROL BINDING AND DISCHARGIN COENZYME. J.BIOL.CHEM. V. 286 23357 2011
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
22 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
24 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
33 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
34 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
35 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
38 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
41 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
43 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
44 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
48 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
53 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
56 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
63 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
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 1DG 0.68 1
8 DG1 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 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RHJ; Ligand: NAP; Similar sites found with APoc: 161
This union binding pocket(no: 1) in the query (biounit: 3rhj.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 4JLS 3ZE 1.31579
3 5L2R MLA 1.35397
4 4R84 CSF 1.39165
5 2X1E X1E 1.40056
6 5YJS SAL 1.53846
7 4V3C C 1.54639
8 1HXD BTN 1.55763
9 2IZ1 ATR 1.68776
10 4CME KTZ 1.73611
11 5JCJ 6JM 1.73611
12 2VL1 GLY GLY 1.74081
13 4ZDJ UTP 1.74081
14 2ZWI C5P 1.87668
15 3G5N PB2 1.89076
16 3NZ1 3NY 1.91571
17 1CT9 AMP 1.93424
18 5OCM NAP 2.06186
19 5H3A UMP 2.12014
20 5H3A D16 2.12014
21 2BHZ MAL 2.12766
22 3EFS BTN 2.14592
23 2JK0 ASP 2.15385
24 3BRE C2E 2.23464
25 1OFL NGK GCD 2.2869
26 3H8V ATP 2.39726
27 1I0B PEL 2.40964
28 1W0O SIA 2.51451
29 2Z4T C5P 2.52918
30 4UBS DIF 2.54453
31 5HJM MTA 2.55682
32 5KJW 53C 2.57611
33 4OUJ LBT 2.60586
34 1IK4 PGH 2.63158
35 3B9Q MLI 2.64901
36 1WKM MET 2.71186
37 3I7S PYR 2.73973
38 1KYZ SAH 2.73973
39 4JGP PYR 2.76498
40 1NE7 AGP 2.76817
41 2Z48 NGA 2.77778
42 2OG2 MLI 2.78552
43 3G89 SAM 2.81124
44 4J4V SVR 2.82258
45 6FA4 D1W 2.89017
46 4X1B MLI 2.90135
47 5KWW 6YA 2.90135
48 3G2Y GF4 3.04183
49 3W6X HZP 3.05677
50 1ZGA SAH 3.08123
51 5MRH Q9Z 3.16092
52 1F9V ADP 3.17003
53 2D3Y DU 3.19635
54 2IU8 PLM 3.20856
55 1VMK GUN 3.2491
56 6I6X TLA 3.2882
57 5A1S FLC 3.34821
58 3LGS ADE 3.37079
59 3LGS SAH 3.37079
60 2OO0 PLP 3.39703
61 4NZ6 DLY 3.51438
62 3QSB 743 3.55191
63 1NW4 IMH 3.62319
64 3BP1 GUN 3.7931
65 3AJ6 NGA 3.84615
66 3MWL 8OX 3.86473
67 3G2O SAM 4.01338
68 1VBO MAN MAN MAN 4.02685
69 5E58 CPZ 4.0568
70 5GQX GLC GLC GLC GLC 4.0619
71 3HGM ATP 4.08163
72 3JQQ A2P 4.11392
73 1KAE NAD 4.14747
74 1C1X HFA 4.22535
75 4DFU QUE 4.34783
76 1LSH PLD 4.38871
77 4R2M ANP 4.43038
78 4CP8 MLI 4.51745
79 5FUI APY 4.54545
80 3RK0 AMP 4.64135
81 4OJP MAL 4.64217
82 2WLG SOP 4.65116
83 1ODJ GMP 4.68085
84 6C4T NA7 4.88889
85 3U40 ADN 4.95868
86 3OQJ 3CX 5.05837
87 2YX1 SFG 5.05952
88 4A9C B5F 5.06329
89 6FDF SAH 5.08982
90 3C3D FO1 5.14469
91 2EB5 OXL 5.24345
92 1C3X 8IG 5.26316
93 3QPB URA 5.31915
94 1UYY BGC BGC 5.34351
95 2F69 SAH 5.36398
96 1KYQ NAD 5.47445
97 1TUU ADP 5.51378
98 4YJK URA 5.55556
99 4Q86 AMP 5.60928
100 5TVF CGQ 5.88235
101 2XCU C5P 5.88235
102 5HZ9 5M8 5.92593
103 2EG5 SAH 6.1828
104 3R7F CP 6.25
105 4FE2 AIR 6.27451
106 3QXV MTX 6.34921
107 3H0L ADP 6.69456
108 2JE7 XMM 6.69456
109 4XCP PLM 7.05882
110 1VHW ADN 7.11462
111 3F5A SIA GAL NAG 7.31707
112 1T36 U 7.32984
113 2XG5 EC5 7.33945
114 2XG5 EC2 7.33945
115 1HE1 AF3 7.40741
116 5OCG 9R5 7.40741
117 5F6U 5VK 7.64331
118 3DZ6 M8E 7.86517
119 5NM7 GLY 7.89474
120 1UKG MMA 7.93651
121 5O96 SAM 8.16327
122 1KZL CRM 8.17308
123 1SES AMP 8.7886
124 2VT3 ATP 8.83721
125 6GNO XDI 8.88889
126 1GRN AF3 8.90052
127 2NGR AF3 8.90052
128 6F4W FMC 9.44206
129 3KCC CMP 9.61539
130 3KPE TM3 9.80392
131 1G4U AF3 10.4439
132 5HV7 RBL 10.5505
133 5IFK HPA 11.2179
134 3IWD M2T 11.7647
135 1V59 NAD 12.7615
136 4CQK PIO 12.766
137 5G48 1FL 13.6364
138 3GQK ATP 14.7239
139 4RYV ZEA 18.0645
140 2G30 ALA ALA PHE 18.75
141 1EJ0 SAM 20
142 2Y5D NAP 21.6634
143 5JFL NAD 21.7557
144 1W8S FBP 24.3346
145 1EZ0 NAP 25.098
146 5DBV COA 26.5169
147 5OM2 DXT 30
148 5CLO NS8 35.5932
149 4LH0 GLV 36.5571
150 4NS3 NAD 37.3002
151 3HAZ NAD 37.911
152 5KF6 NAD 39.4584
153 4OE4 NAD 40.619
154 4YWV SSN 42.1505
155 5UCD NAP 43.1072
156 4ZUL UN1 45.4191
157 4I3V NAD 45.9016
158 1KY8 NAP 46.3074
159 3EFV NAD 46.3203
160 2BJK NAD 46.5116
161 6FK3 PPI 49.323
Pocket No.: 2; Query (leader) PDB : 3RHJ; Ligand: NAP; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 3rhj.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5E4R 40E 1.83673
2 4I5I 4I5 2.43902
3 2D2I NAP 2.51451
4 4XDZ 40E 2.62391
5 2Z49 AMG 2.77778
6 5F7J ADE 2.8125
7 2UYQ SAM 2.90323
8 2GQS C2R 2.95359
9 4RPM HXC 2.95567
10 4G9N NGA 3.4965
11 1RYD GLC 3.87597
12 6BR8 PGV 3.96825
13 1RJW ETF 4.12979
14 1SDW IYT 4.77707
15 5KAX RHQ 4.81928
16 5TWJ SAM 4.93827
17 3RKR NAP 4.96183
18 1V3S ATP 5.17241
19 4GKY MAN 5.36398
20 5EXK MET 6.0423
21 1C5C TK4 6.54206
22 43CA NPO 7.07965
23 2NU8 COA 7.47423
24 1I7M CG 7.86517
25 3HUN ZZ7 7.94702
26 5C83 4YN 8.18182
27 5LNE A2G GAL 8.53659
28 2QHV OC9 9.04762
29 4GDX GLU 15.3846
Pocket No.: 3; Query (leader) PDB : 3RHJ; Ligand: NAP; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 3rhj.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2D09 FLV 1.9656
2 5XH2 NPO 2.29008
3 4GN8 ASO 2.34114
4 3GU3 SAH 2.46479
5 5T8U LPA 2.5
6 4BA5 PXG 2.61438
7 1JE1 GMP 3.38983
8 3DXY SAM 3.66972
9 5XK9 DMA 3.87931
10 4K90 MLA 4.18605
11 3I53 SAH 4.21687
12 5ZI9 FLC 4.23077
13 1MUU NAD 4.3578
14 2Z3U CRR 4.70588
15 3CF6 SP1 4.79042
16 4WCX MET 4.79167
17 1MLD CIT 4.83559
18 1YP1 LYS ASN LEU 4.9505
19 5DYO FLU 5.04587
20 1ONI BEZ 5.07246
21 3T7S SAM 5.22388
22 2W5P CL8 5.36913
23 6BTN E8M 5.44554
24 2AC7 ADN 5.53191
25 5Y4R C2E 5.78231
26 4WOE ADP 6.18956
27 5N26 CPT 7.14286
28 2QQC AG2 11.3208
29 1N13 AG2 11.5385
Pocket No.: 4; Query (leader) PDB : 3RHJ; Ligand: NAP; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 3rhj.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2F2H XTG 1.74081
2 5WXU FLC 2.08768
3 1F20 NAP 2.98851
4 1ON3 DXX 3.09478
5 4NOS ITU 3.27869
6 6ECW SAH 4.44444
7 1G51 AMP 5.02901
8 2C5S AMP 5.08475
9 3KYG 5GP 5GP 5.28634
10 2UWN SCR 5.34759
11 1OYF MHN 6.61157
12 3L1N PLM 7.2165
13 3DUV KDO 8.77863
14 1I1Q TRP 9.89583
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