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Receptor
PDB id Resolution Class Description Source Keywords
1WMA 1.24 Å EC: 1.1.1.184 CRYSTAL STRUCTURE OF HUMAN CBR1 IN COMPLEX WITH HYDROXY-PP HOMO SAPIENS OXIDOREDUCTASE
Ref.: AN UNBIASED CELL MORPHOLOGY-BASED SCREEN FOR NEW, BIOLOGICALLY ACTIVE SMALL MOLECULES PLOS BIOL. V. 3 128 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AB3 A:307;
A:308;
Valid;
Valid;
none;
none;
ic50 = 788 nM
283.328 C15 H17 N5 O CC(C)...
NDP A:309;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
P33 A:311;
Invalid;
none;
submit data
326.383 C14 H30 O8 C(COC...
PE5 A:310;
Invalid;
none;
submit data
398.489 C18 H38 O9 CCOCC...
SO4 A:300;
A:301;
A:302;
A:303;
A:304;
A:305;
A:306;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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
1WMA 1.24 Å EC: 1.1.1.184 CRYSTAL STRUCTURE OF HUMAN CBR1 IN COMPLEX WITH HYDROXY-PP HOMO SAPIENS OXIDOREDUCTASE
Ref.: AN UNBIASED CELL MORPHOLOGY-BASED SCREEN FOR NEW, BIOLOGICALLY ACTIVE SMALL MOLECULES PLOS BIOL. V. 3 128 2005
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BHI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4Z3D Ka = 87200 M^-1 GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 2PFG - DDD C12 H17 N3 O6 S C1CC(=O)N2....
4 3BHM - AHE C11 H19 N3 O7 S C(CC(=O)N[....
5 3BHJ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1WMA ic50 = 788 nM AB3 C15 H17 N5 O CC(C)(C)n1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BHI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4Z3D Ka = 87200 M^-1 GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 2PFG - DDD C12 H17 N3 O6 S C1CC(=O)N2....
4 3BHM - AHE C11 H19 N3 O7 S C(CC(=O)N[....
5 3BHJ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1WMA ic50 = 788 nM AB3 C15 H17 N5 O CC(C)(C)n1....
7 1N5D - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3BHI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4Z3D Ka = 87200 M^-1 GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 2PFG - DDD C12 H17 N3 O6 S C1CC(=O)N2....
4 3BHM - AHE C11 H19 N3 O7 S C(CC(=O)N[....
5 3BHJ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1WMA ic50 = 788 nM AB3 C15 H17 N5 O CC(C)(C)n1....
7 1N5D - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AB3; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AB3 1 1
2 ABJ 0.621212 0.959184
3 BK2 0.6 0.857143
4 PP1 0.569231 0.857143
5 RB1 0.506849 0.923077
6 VGG 0.402597 0.773585
Ligand no: 2; 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 : 1WMA; Ligand: AB3; Similar sites found with APoc: 98
This union binding pocket(no: 1) in the query (biounit: 1wma.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWA PTY None
2 5MT9 ARG None
3 5MT9 SRO None
4 5NNT DPV None
5 4N4J HG1 1.44928
6 6FFI D8B 1.8018
7 5MW4 5JU 1.81159
8 3SFI 3SF 2.11864
9 5IH1 GDP 2.17391
10 5IH1 6BQ 2.17391
11 5JO1 6LM 2.17391
12 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 2.18182
13 4R57 ACO 2.27273
14 2WG9 OCA 2.30769
15 4V3I ASP LEU THR ARG PRO 2.33463
16 4DJA FAD 2.53623
17 4DJA DLZ 2.53623
18 5W8Q BU4 2.53623
19 1MGP PLM 2.53623
20 1VPV PLM 2.53623
21 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 2.53623
22 1K97 ASP 2.53623
23 1K97 CIR 2.53623
24 1XMU ROF 2.53623
25 3JRS A8S 2.88462
26 3WQM B29 2.89855
27 2AX9 BHM 3.125
28 3WCA FPS 3.26087
29 2E9L OLA 3.26087
30 2E9L PLM 3.26087
31 2E9L BGC 3.26087
32 4QJR PIZ 3.26531
33 2QZT PLM 3.6036
34 4A2A ATP 3.62319
35 1T26 NAI 3.98551
36 1T26 GBD 3.98551
37 2XSU PIE 3.98551
38 1H16 COA 3.98551
39 5EXA 5SO 4.34783
40 2Q8G AZX 4.34783
41 2Y31 SMQ 4.49438
42 3KDJ A8S 4.71014
43 1P7T ACO 4.71014
44 5YWX GSH 4.71014
45 5YWX 93C 4.71014
46 4DS8 A8S 4.78469
47 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 5
48 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 5
49 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 5
50 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 5.05051
51 2P4Y C03 5.07246
52 3AWJ COA 5.07246
53 3TDC 0EU 5.07246
54 3OZV ECN 5.07246
55 3OZV FAD 5.07246
56 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 5.43478
57 2OZ5 7XY 5.43478
58 1GNI OLA 5.7971
59 1OUK 084 6.15942
60 1M2Z BOG 6.22568
61 2D5Z L35 6.38298
62 3T6E UQ9 6.52174
63 3NMV PYV 6.74157
64 1KOR ARG 6.88406
65 1KOR SIN 6.88406
66 1KOR ANP 6.88406
67 3TL1 JRO 6.91824
68 2C78 PUL 7.24638
69 6CGN DA 7.24638
70 5M8T 0TR 7.6087
71 4NVQ SAH 7.6087
72 4NVQ 2OD 7.6087
73 2BW7 ECS 8.21918
74 2BW7 APC 8.21918
75 1EWF PC1 8.33333
76 2EG5 XTS 9.05797
77 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 9.09091
78 4OIC A8S 9.17874
79 6ARJ BW4 9.42029
80 6ARJ SAH 9.42029
81 1OQC FAD 9.6
82 5NTP 98E 9.66387
83 3P9T TCL 10.5023
84 5HCY 60D 11.2319
85 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 12.8205
86 3BEJ MUF 13.8655
87 3OKI OKI 14.1631
88 4OIV XX9 14.6018
89 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 14.9378
90 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 15.0794
91 1T57 FMN 15.534
92 4LA7 A1O 18.1347
93 5JNN 6LM 18.4211
94 1T8U UAP SGN IDS SGN 21.6912
95 2DYR PEK 23.913
96 2DYS PEK 23.913
97 5OSW DIU 27.1739
98 1GEG GLC 35.1562
Pocket No.: 2; Query (leader) PDB : 1WMA; Ligand: NDP; Similar sites found with APoc: 636
This union binding pocket(no: 2) in the query (biounit: 1wma.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 3UB7 ACM None
2 2WA2 SAM None
3 1EBF NAD 0.724638
4 2J0V GDP 0.943396
5 5EDE 5M6 1.08696
6 2HMT NAI 1.38889
7 1EQ2 NAP 1.44928
8 1V6A TRE 1.44928
9 9LDB NAD 1.44928
10 9LDT NAD 1.44928
11 5THY SAH 1.44928
12 3KB6 NAD 1.44928
13 4ZVV GN0 1.44928
14 4ZVV NAD 1.44928
15 5W0N UPU 1.44928
16 1CF2 NAP 1.44928
17 5THZ SAH 1.44928
18 1P77 ATR 1.47059
19 3MMH SME 1.79641
20 4O1M NAD 1.81159
21 5F5N NAD 1.81159
22 5NUF NAD 1.81159
23 4R5M 4NO 1.81159
24 4R5M NAP 1.81159
25 5NUE NAD 1.81159
26 1X87 NAD 1.81159
27 3CQO FUC 1.81159
28 4C4A SAH 1.81159
29 5L3W GDP 1.81159
30 2Q46 NAP 1.97628
31 2CJW GDP 2.08333
32 2BME GNP 2.15054
33 4Q9N NAI 2.17391
34 1E7S NAP 2.17391
35 5MDH NAD 2.17391
36 1N7G GDR 2.17391
37 5H81 NAP 2.17391
38 4MDH NAD 2.17391
39 5A1T NAI 2.17391
40 1N7G NDP 2.17391
41 3V1Y NAD 2.17391
42 1BXG NAD 2.17391
43 2V6G NAP 2.17391
44 1BW9 NAD 2.17391
45 1C1X NAD 2.17391
46 1WOG 16D 2.17391
47 5A1T OXM 2.17391
48 1J49 NAD 2.17391
49 2JL1 NAP 2.17391
50 2VT3 ATP 2.32558
51 3Q85 GNP 2.36686
52 2DT5 NAD 2.36967
53 1J5P NAD 2.37154
54 2BKA NDP 2.47934
55 2XVM SAH 2.51256
56 2X6T NAP 2.52101
57 4PVD NDP 2.53623
58 1EK6 NAI 2.53623
59 1EK6 UPG 2.53623
60 5BJX NAD 2.53623
61 5BJX UDP 2.53623
62 2PK3 A2R 2.53623
63 3LJU IP9 2.53623
64 4XB2 NDP 2.53623
65 3C1O NAP 2.53623
66 5UR0 NAD 2.53623
67 5MPT SAH 2.53623
68 4DPL NAP 2.53623
69 3CIF NAD 2.53623
70 3I73 ADP 2.53623
71 3CIF G3H 2.53623
72 4XB2 HSE 2.53623
73 2BQP GLC 2.5641
74 1A4R GNH 2.6178
75 1YRB GDP 2.67176
76 5YRL GLC GLC 2.8169
77 5YRM BGC GLC 2.8169
78 5YRG BGC GLC 2.8169
79 5YRJ BGC GLC 2.8169
80 5YRF GLC GLC 2.8169
81 3L6R MLI 2.89017
82 3ICS ADP 2.89116
83 2F1K NAP 2.89855
84 2YY7 NAD 2.89855
85 1VL0 NAI 2.89855
86 5JAQ NAI 2.89855
87 6AA8 NAD 2.89855
88 5ZI2 NAD 2.89855
89 5ZI2 ADP 2.89855
90 5AYV NAP 2.89855
91 6C4N NAP 2.89855
92 3B2Q AES 2.89855
93 3I6I NDP 2.89855
94 1RJD SAM 2.89855
95 4TVD BGC 2.89855
96 3DLS ADP 2.89855
97 5H0U HIS HIS HIS HIS HIS HIS 2.94118
98 5T9E NAP 2.95203
99 4K7O EKZ 2.97619
100 3OJF IMJ 3.11284
101 3OJF NDP 3.11284
102 5Z75 NAD 3.26087
103 4D42 NAP 3.26087
104 4D42 W0I 3.26087
105 5ZEC NAP 3.26087
106 3ABI NAD 3.26087
107 1GV0 NAD 3.26087
108 1UDB UFG 3.26087
109 1UDB NAD 3.26087
110 2X7I CIT 3.26087
111 1FDJ 2FP 3.26087
112 1A5Z NAD 3.26087
113 5A2B MAL 3.26087
114 1FDJ 13P 3.26087
115 3BAZ NAP 3.26087
116 4D0N GDP 3.26087
117 4RQU NAD 3.26087
118 4Z0H NAD 3.26087
119 1GAD NAD 3.26087
120 1F8G NAD 3.26087
121 2IV3 UDP 3.26087
122 2VYN NAD 3.26087
123 3H9E NAD 3.26087
124 5KVS NAP 3.26087
125 3LKZ SFG 3.26087
126 1DSS NAD 3.26087
127 1J0X NAD 3.26087
128 1UXG NAD 3.26087
129 1UXG FUM 3.26087
130 5U6C 7YS 3.26087
131 1SAY PYR 3.26087
132 1HDR NAD 3.27869
133 1DRV A3D 3.2967
134 5T9F TYR 3.32103
135 5T9F NAP 3.32103
136 5OJL TXP 3.3557
137 5YEC ATP 3.36134
138 2DC1 NAD 3.38983
139 5OOH NAP 3.39806
140 5OOH 9ZZ 3.39806
141 5OCM NAP 3.43643
142 2HF9 GSP 3.53982
143 3KO8 NAD 3.62319
144 5DF1 58X 3.62319
145 5DF1 NAP 3.62319
146 3QDK QDK 3.62319
147 1YS4 NAP 3.62319
148 5FI3 NAP 3.62319
149 3B20 NAD 3.62319
150 4M37 SAH 3.62319
151 5AHO TLA 3.62319
152 5N6C NAD 3.62319
153 1PJS NAD 3.62319
154 2D2I NAP 3.62319
155 5EES NAP 3.64372
156 1OIV GDP 3.66492
157 5ULP KB1 3.73134
158 4CNE SAH 3.74532
159 5BW4 SAM 3.74532
160 3OIG NAD 3.7594
161 5ZI9 FLC 3.84615
162 1DCP HBI 3.84615
163 1VM6 NAD 3.94737
164 2GN3 MAN 3.96825
165 2GN3 MMA 3.96825
166 2GNB MAN 3.96825
167 2GMM MAN MAN 3.96825
168 2GNM MAN 3.96825
169 2PHU MAN MAN 3.96825
170 2GND MAN 3.96825
171 1Q8V MAN MAN 3.96825
172 4R1S NAP 3.98551
173 1OC2 NAD 3.98551
174 1OC2 TDX 3.98551
175 6D56 FVM 3.98551
176 6D55 FWA 3.98551
177 4E13 NAD 3.98551
178 6D5G FVD 3.98551
179 5KKA 6V0 3.98551
180 2EXX NAP 3.98551
181 2UYQ SAM 3.98551
182 4E5N NAD 3.98551
183 1EZ4 NAD 3.98551
184 4YCA NDP 3.98551
185 3H5N ATP 3.98551
186 2GLX NDP 3.98551
187 6D5H FV7 3.98551
188 6AM8 TRP 3.98551
189 1MUU NAD 3.98551
190 5XNC MTA 3.98551
191 1MV8 NAD 3.98551
192 2ZWA SAH 3.98551
193 6D59 FVJ 3.98551
194 5JE8 NAD 3.98551
195 2WME NAP 3.98551
196 5W7R SAH 3.98551
197 3A4T SFG 4.0146
198 2QZZ NAP 4.08805
199 2QZZ EMF 4.08805
200 1Z0N BCD 4.16667
201 5C2N NAG 4.16667
202 4OHU 2TK 4.34783
203 4OHU NAD 4.34783
204 5IN4 6CK 4.34783
205 5IN4 GDP 4.34783
206 5IN4 NAP 4.34783
207 4GLL NAD 4.34783
208 2PV7 NAD 4.34783
209 3L9W AMP 4.34783
210 1GUZ NAD 4.34783
211 1SOW NAD 4.34783
212 4OOE NDP 4.34783
213 3A70 NPO 4.34783
214 3TWO NDP 4.34783
215 1CER NAD 4.34783
216 1NPD NAD 4.34783
217 5JJR SAH 4.34783
218 5GT9 NAP 4.56274
219 4KU7 PCG 4.57516
220 1DS6 GDP 4.6875
221 2NGR GDP 4.70085
222 5MSO NAP 4.71014
223 4TQG NDP 4.71014
224 3H4V DVP 4.71014
225 5CG1 NAD BBN 4.71014
226 3H4V NAP 4.71014
227 4ZNO SUC 4.71014
228 3B1F NAD 4.71014
229 3K5I AIR 4.71014
230 3VPD CIT 4.71014
231 4GKV NAD 4.71014
232 1PL6 NAD 4.71014
233 1RM4 NDP 4.71014
234 1LLU NAD 4.71014
235 1YKF NAP 4.71014
236 5Z20 NAI 4.71014
237 5ERG SAM 4.71014
238 3H8V ATP 4.71014
239 1H2B NAJ 4.71014
240 5W7K SAH 4.71014
241 3ORF NAD 4.78088
242 1QG6 NAD 4.98084
243 1QG6 TCL 4.98084
244 5JNW 6LJ 5.03145
245 3WV8 ATP 5.04587
246 5JCJ NAP 5.07246
247 4CM8 NAP 5.07246
248 5JDI NAP 5.07246
249 6BWL NAD 5.07246
250 4CM9 NAP 5.07246
251 3BMN NAP 5.07246
252 4CLR NAP 5.07246
253 4CMI NAP 5.07246
254 3JQ9 NAP 5.07246
255 3A06 NDP 5.07246
256 4CM4 NAP 5.07246
257 3BMO NAP 5.07246
258 3BMQ NAP 5.07246
259 4CLO NAP 5.07246
260 4CME NAP 5.07246
261 4LHD GLY 5.07246
262 6BWL UDP 5.07246
263 3JQB NAP 5.07246
264 3JQ8 DX3 5.07246
265 3JQ8 NAP 5.07246
266 5CAE COA 5.07246
267 5UAV NDP 5.07246
268 5GZ6 NDP 5.07246
269 1KYZ SAH 5.07246
270 5UAV TFB 5.07246
271 2HK9 ATR 5.09091
272 2HK9 NAP 5.09091
273 4IRP UDP 5.17928
274 1JAY NAP 5.18868
275 3LXR GDP 5.20833
276 2VZ0 NAP 5.22388
277 2VZ0 D64 5.22388
278 2WD7 NAP 5.22388
279 3RFV NAI 5.24345
280 3RFV 15L 5.24345
281 3A3B FMN 5.26316
282 2B4B COA 5.26316
283 6A4R ASP 5.28302
284 3WMX NAD 5.43478
285 1WVG APR 5.43478
286 4KOA NDP 5.43478
287 5X20 NAD 5.43478
288 1CDO NAD 5.43478
289 1T36 ORN 5.43478
290 2B4R NAD 5.43478
291 3EVG SAH 5.45455
292 1O6Z NAD 5.61056
293 3LU1 NAD 5.7971
294 1SB8 UD2 5.7971
295 1SB8 NAD 5.7971
296 1HYE NAP 5.7971
297 4EUE NAI 5.7971
298 1LUA NAP 5.7971
299 1WDK NAD 5.7971
300 1B8U NAD 5.7971
301 3FSY SCA 5.7971
302 2A92 NAI 5.7971
303 4PLG OXM 5.7971
304 4PLG NAI 5.7971
305 5XGX DAS DLY 5.7971
306 4HBM 0Y7 5.83333
307 1C3M MAN MAN 6.12245
308 1RKX NAD 6.15942
309 4ZGS NAD 6.15942
310 5U5G NAP 6.15942
311 2CI5 HCS 6.15942
312 5CK5 GDP 6.15942
313 1GZ4 ATP 6.15942
314 1YBQ BDH 6.15942
315 6FLZ MMA 6.25
316 4OFG PCG 6.25
317 1NYT NAP 6.27306
318 2HJR APR 6.52174
319 2Q1W NAD 6.52174
320 2VUT NAD 6.52174
321 1TI7 NAP 6.52174
322 3EZ2 ADP 6.52174
323 3EC1 GDP 6.52174
324 4XZ3 COA 6.52174
325 3X0D SAH 6.52174
326 5Z49 RUB 6.69456
327 4D3F NAP 6.88406
328 1TB4 PEJ 6.88406
329 3ULK NDP 6.88406
330 5BSH PRO 6.88406
331 2EFE GNH 7.11611
332 3EWR APR 7.14286
333 4DID GDP 7.23684
334 2WPB ZZI 7.24638
335 1WP4 NDP 7.24638
336 1P0F NAP 7.24638
337 1X7D NAD 7.24638
338 1SC6 NAD 7.24638
339 4IXW IXW 7.48031
340 3KIF GDL 7.54717
341 2C29 NAP 7.6087
342 1I2B USQ 7.6087
343 1I2B NAD 7.6087
344 1I2B UPG 7.6087
345 2C29 DQH 7.6087
346 5MLR GRQ 7.6087
347 5MLR NAP 7.6087
348 4OB6 S2T 7.6087
349 5XVH NAP 7.6087
350 2ZWS PLM 7.6087
351 3O7W SAM 7.6087
352 4D79 ATP 7.6087
353 6A0S NDP 7.6087
354 6A0S HSE 7.6087
355 3OJO NAD 7.6087
356 6EL3 NAP 7.97101
357 2DBZ NAP 7.97101
358 2GCG NDP 7.97101
359 4YZ5 SLT 7.97101
360 5O96 SAM 8.16327
361 5L4L 7OX 8.33333
362 1E5Q NDP 8.33333
363 1XK5 TPG 8.33333
364 3K0T BGC 8.33333
365 3GFB NAD 8.33333
366 5A7Y SAH 8.33333
367 5L4L NAP 8.33333
368 2RI1 GLP 8.51064
369 4JLS 3ZE 8.55263
370 4J7U YTZ 8.68056
371 4J7U NAP 8.68056
372 5K4W THR 8.69565
373 5K4W NAI 8.69565
374 1LDM NAD 8.69565
375 1HYH NAD 8.69565
376 1Z6Z NAP 8.86525
377 4JK3 NAD 8.88031
378 3ZX4 2M8 8.88031
379 2GUD MAN 9.01639
380 2GUC MAN 9.01639
381 2NU5 NAG 9.01639
382 2GUD BMA 9.01639
383 2HYR BGC GLC 9.01639
384 2NUO BGC 9.01639
385 2HYQ MAN MAN 9.01639
386 4PIV NDP 9.05797
387 5AOV NAP 9.05797
388 3GGO NAI 9.05797
389 4OM8 NAD 9.05797
390 5Z21 NAI 9.05797
391 2G5C NAD 9.05797
392 1UAY ADN 9.09091
393 5ZZ6 ADP 9.13461
394 5ZZ6 NAD 9.13461
395 2FR1 NDP 9.42029
396 1LTH NAD 9.42029
397 2DFV NAD 9.42029
398 5KO1 6UY 9.42029
399 3WBF NAP 9.42029
400 5IUC SIA GAL A2G 9.44882
401 1V8B ADN 9.78261
402 6BII NAP 9.78261
403 3T2W BTN 9.83607
404 1KYQ NAD 9.85401
405 5XWV NDP 10.0806
406 5XWV 8H6 10.0806
407 4JBI NDP 10.1449
408 3MB5 SAM 10.1961
409 1NVM NAD 10.5072
410 2I3G NAP 10.5114
411 1V35 NAI 10.8696
412 6DNT NAD 10.8696
413 1LDN NAD 10.8696
414 1KEV NDP 10.8696
415 3VPH OXM 10.8696
416 3VPH NAD 10.8696
417 2FOI JPA 11.1524
418 1RPN NDP 11.2319
419 2PZM UDP 11.2319
420 2PZM NAD 11.2319
421 5LD5 NAD 11.2319
422 5L95 AMP 11.25
423 1OAA OAA 11.583
424 3I53 SAH 11.5942
425 5EIN NAP 11.9565
426 5WQP NCA 11.9658
427 5WQP NAP 11.9658
428 5KUT GDP 12.1693
429 1R37 NAD 12.6801
430 1PZG A3D 12.6812
431 4HXY NDP 13.0137
432 2WYV NAD 13.0268
433 2C5A GDC 13.0435
434 2C5A NAD 13.0435
435 1NNU NAD 13.1004
436 1NNU TCT 13.1004
437 1U1I NAD 13.4058
438 4PLT NAI 13.4058
439 4PLT OXM 13.4058
440 2CVQ NDP 13.4058
441 1NVT NAP 13.5889
442 5G4L NDP 13.7681
443 6CEP NAD 13.7681
444 6CEP OXM 13.7681
445 2Q1S NAI 13.7681
446 2D3N GLC GLC GLC 13.7681
447 5K6A NAP 13.8889
448 5JDC NAP 13.8889
449 3JQG NAP 13.8889
450 3JQA NAP 13.8889
451 3JQF NAP 13.8889
452 3JQ7 NAP 13.8889
453 4YAC NAI 14.1304
454 1D7O TCL 14.1304
455 1D7O NAD 14.1304
456 1Z45 NAD 14.1304
457 2CUN 3PG 14.1304
458 1ZGS XMM 14.1304
459 4OKE AMP 14.2857
460 2OOR NAD 14.3678
461 3KIH GDL 14.433
462 1ORR NAD 14.4928
463 1D1T NAD 14.4928
464 5Y1G AKB 14.6341
465 5Y1G NAD 14.6341
466 1BDB NAD 14.8551
467 1KEW NAD 14.8551
468 1KEW TYD 14.8551
469 1O5I NAD 14.8594
470 4FC7 COA 15.2174
471 4FC7 NAP 15.2174
472 3U4C NDP 15.5797
473 4ZRN NAD 15.5797
474 4ZRN UPG 15.5797
475 5X9D 80F 15.5797
476 5EPO NAP 15.6489
477 5EPO TUD 15.6489
478 5OVL NAP 15.942
479 5I7S NAD 15.942
480 5I7S E9P 15.942
481 2GZ3 NAP 15.942
482 5WUW NAP 16.3043
483 6D6Y SAH 16.3043
484 3AFN NAP 16.6667
485 2GN4 NDP 16.6667
486 2GN4 UD1 16.6667
487 5EJ2 NAD 16.8831
488 4U7W NDP 17.029
489 3QV1 NAD 17.0732
490 5OVK NDP 17.1875
491 5N2I NAP 17.2414
492 1KUJ MMA 17.2932
493 1MXH DHF 17.3913
494 4J1Q NDP 17.3913
495 1MXH NAP 17.3913
496 1U7T TDT 17.6245
497 1U7T NAD 17.6245
498 6F9Q NAD 17.6471
499 1HKU NAD 17.7536
500 1I36 NAP 17.803
501 1LSS NAD 17.8571
502 2GDZ NAD 17.9775
503 1E3W NAD 18.3908
504 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 18.3908
505 1E6W NAD 18.4615
506 2PD4 NAD 18.5455
507 2PD4 DCN 18.5455
508 3AI3 SOL 18.6312
509 4JP3 CIT 18.8285
510 5Z2L NDP 19.1837
511 1W8D NAP 19.2029
512 1W73 NAP 19.2029
513 4G5H NAP 19.5652
514 4G5H UD7 19.5652
515 1W6U NAP 19.9275
516 1W6U HXC 19.9275
517 1ZBQ NAD 21.0145
518 6EOM ALA LYS 21.3768
519 2BGM NAJ 21.9424
520 2BGM MAX 21.9424
521 1R6D DAU 22.1014
522 3CH6 NAP 22.1014
523 3CH6 311 22.1014
524 1R6D NAD 22.1014
525 3QWI CUE 22.2222
526 3QWI NAP 22.2222
527 1JA9 NDP 22.2628
528 1JA9 PYQ 22.2628
529 1G0N NDP 22.4638
530 1G0N PHH 22.4638
531 4ITU 1HS 22.8261
532 4ITU NAI 22.8261
533 4K26 SFF 22.8261
534 4K26 NDP 22.8261
535 4O0L NDP 22.9091
536 4RF2 NAP 23.5294
537 5GWT SIN 23.5507
538 5FEU NAP 23.5507
539 5GWT NAD 23.5507
540 4YAG NAI 23.5507
541 4KWI 1TJ 23.5741
542 4KWI NAP 23.5741
543 1GEE NAD 23.7548
544 4M38 SAH 23.8095
545 2AG5 NAD 23.9837
546 2EWM NAD 24.0964
547 3AY6 NAI 24.1636
548 3AY6 BGC 24.1636
549 1ZEM NAD 24.4275
550 4Y9D NAI 24.6377
551 1XHL NDP 24.6377
552 1XHL TNE 24.6377
553 4ZU3 4SD 24.6696
554 6CI9 NAP 24.7104
555 6CI9 F3V 24.7104
556 4OSP NAP 24.7148
557 4OSP 2V4 24.7148
558 2AE2 PTO 25
559 2AE2 NAP 25
560 1Y1P NMN AMP PO4 25
561 5FA5 MTA 25
562 1ZK4 NAP 25.0996
563 1ZK4 AC0 25.0996
564 3RJ5 NAD 25.1968
565 3O03 NAP 25.3623
566 3O03 GCO 25.3623
567 2DTX BMA 25.3788
568 5O42 NAD 25.5474
569 5O42 BGC 25.5474
570 5O42 9JW 25.5474
571 1AE1 NAP 25.641
572 1H5Q NAP 25.6604
573 3TN7 NJP 25.6809
574 3VZS NAP 25.6809
575 3VZS CAA 25.6809
576 3A4V PYR 25.7246
577 3A4V NAD 25.7246
578 3NUG NAD 25.9109
579 3OID NDP 25.969
580 1BXK NAD 26.087
581 3RKR NAP 26.3359
582 1YXM ADE 26.4493
583 2B4Q NAP 26.4493
584 3V1U NAD 26.4493
585 5FFF NAP 26.4591
586 5FFF 5XC 26.4591
587 4URF NAD 26.6129
588 1A27 NAP 26.8116
589 1XKQ NDP 27.1739
590 3HB5 NAP 27.5362
591 1XSE NDP 27.5362
592 1GZ6 NAI 27.8986
593 2CFC NAD 29.6
594 2CFC KPC 29.6
595 1NFQ NAI 29.6154
596 4ZA2 NAD 30.0395
597 3A28 NAD 30.6202
598 1PR9 NAP 31.1475
599 3D3W NAP 31.1475
600 2BD0 NAP 31.1475
601 1FK8 NAD 31.5175
602 2JAH NDP 32.3887
603 4FN4 NAD 32.6772
604 5THQ NDP 32.7206
605 2JAP NDP 33.1984
606 3SJU NDP 33.6957
607 1GY8 NAD 33.6957
608 3ZV6 NAD 34.058
609 3ZV6 4HB 34.058
610 1GEG NAD 35.1562
611 2RH4 EMO 35.8696
612 2WSB NAD 36.2205
613 1UZN NAP 36.4372
614 3GEG NAD 36.8421
615 4NBW NAD 36.965
616 1SNY NAP 37.0787
617 1EDO NAP 37.2951
618 4CQM NAP 38.1148
619 4NBT NAD 38.3333
620 2Q2V NAD 38.4314
621 1X1T NAD 38.4615
622 4QED NAP 39.1129
623 5B4T NAD 39.2308
624 5B4T 3HR 39.2308
625 1VL8 NAP 39.3258
626 1IY8 NAD 39.3258
627 1HDC CBO 39.3701
628 1XG5 NAP 39.4265
629 4NBU NAI 40
630 1Q7B NAP 40.1639
631 5YSS NAD 40.2344
632 3SJ7 NDP 40.4762
633 5T2U NAP 41.5323
634 3WXB NDP 43.4783
635 3ICC NAP 43.9216
636 2DKN NAI 44.7059
Pocket No.: 3; Query (leader) PDB : 1WMA; Ligand: AB3; Similar sites found with APoc: 636
This union binding pocket(no: 3) in the query (biounit: 1wma.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 3UB7 ACM None
2 2WA2 SAM None
3 1EBF NAD 0.724638
4 2J0V GDP 0.943396
5 5EDE 5M6 1.08696
6 2HMT NAI 1.38889
7 1EQ2 NAP 1.44928
8 1V6A TRE 1.44928
9 9LDB NAD 1.44928
10 9LDT NAD 1.44928
11 5THY SAH 1.44928
12 3KB6 NAD 1.44928
13 4ZVV GN0 1.44928
14 4ZVV NAD 1.44928
15 5W0N UPU 1.44928
16 1CF2 NAP 1.44928
17 5THZ SAH 1.44928
18 1P77 ATR 1.47059
19 3MMH SME 1.79641
20 4O1M NAD 1.81159
21 5F5N NAD 1.81159
22 5NUF NAD 1.81159
23 4R5M 4NO 1.81159
24 4R5M NAP 1.81159
25 5NUE NAD 1.81159
26 1X87 NAD 1.81159
27 3CQO FUC 1.81159
28 4C4A SAH 1.81159
29 5L3W GDP 1.81159
30 2Q46 NAP 1.97628
31 2CJW GDP 2.08333
32 2BME GNP 2.15054
33 4Q9N NAI 2.17391
34 1E7S NAP 2.17391
35 5MDH NAD 2.17391
36 1N7G GDR 2.17391
37 5H81 NAP 2.17391
38 4MDH NAD 2.17391
39 5A1T NAI 2.17391
40 1N7G NDP 2.17391
41 3V1Y NAD 2.17391
42 1BXG NAD 2.17391
43 2V6G NAP 2.17391
44 1BW9 NAD 2.17391
45 1C1X NAD 2.17391
46 1WOG 16D 2.17391
47 5A1T OXM 2.17391
48 1J49 NAD 2.17391
49 2JL1 NAP 2.17391
50 2VT3 ATP 2.32558
51 3Q85 GNP 2.36686
52 2DT5 NAD 2.36967
53 1J5P NAD 2.37154
54 2BKA NDP 2.47934
55 2XVM SAH 2.51256
56 2X6T NAP 2.52101
57 4PVD NDP 2.53623
58 1EK6 NAI 2.53623
59 1EK6 UPG 2.53623
60 5BJX NAD 2.53623
61 5BJX UDP 2.53623
62 2PK3 A2R 2.53623
63 3LJU IP9 2.53623
64 4XB2 NDP 2.53623
65 3C1O NAP 2.53623
66 5UR0 NAD 2.53623
67 5MPT SAH 2.53623
68 4DPL NAP 2.53623
69 3CIF NAD 2.53623
70 3I73 ADP 2.53623
71 3CIF G3H 2.53623
72 4XB2 HSE 2.53623
73 2BQP GLC 2.5641
74 1A4R GNH 2.6178
75 1YRB GDP 2.67176
76 5YRL GLC GLC 2.8169
77 5YRM BGC GLC 2.8169
78 5YRG BGC GLC 2.8169
79 5YRJ BGC GLC 2.8169
80 5YRF GLC GLC 2.8169
81 3L6R MLI 2.89017
82 3ICS ADP 2.89116
83 2F1K NAP 2.89855
84 2YY7 NAD 2.89855
85 1VL0 NAI 2.89855
86 5JAQ NAI 2.89855
87 6AA8 NAD 2.89855
88 5ZI2 NAD 2.89855
89 5ZI2 ADP 2.89855
90 5AYV NAP 2.89855
91 6C4N NAP 2.89855
92 3B2Q AES 2.89855
93 3I6I NDP 2.89855
94 1RJD SAM 2.89855
95 4TVD BGC 2.89855
96 3DLS ADP 2.89855
97 5H0U HIS HIS HIS HIS HIS HIS 2.94118
98 5T9E NAP 2.95203
99 4K7O EKZ 2.97619
100 3OJF IMJ 3.11284
101 3OJF NDP 3.11284
102 5Z75 NAD 3.26087
103 4D42 NAP 3.26087
104 4D42 W0I 3.26087
105 5ZEC NAP 3.26087
106 3ABI NAD 3.26087
107 1GV0 NAD 3.26087
108 1UDB UFG 3.26087
109 1UDB NAD 3.26087
110 2X7I CIT 3.26087
111 1FDJ 2FP 3.26087
112 1A5Z NAD 3.26087
113 5A2B MAL 3.26087
114 1FDJ 13P 3.26087
115 3BAZ NAP 3.26087
116 4D0N GDP 3.26087
117 4RQU NAD 3.26087
118 4Z0H NAD 3.26087
119 1GAD NAD 3.26087
120 1F8G NAD 3.26087
121 2IV3 UDP 3.26087
122 2VYN NAD 3.26087
123 3H9E NAD 3.26087
124 5KVS NAP 3.26087
125 3LKZ SFG 3.26087
126 1DSS NAD 3.26087
127 1J0X NAD 3.26087
128 1UXG NAD 3.26087
129 1UXG FUM 3.26087
130 5U6C 7YS 3.26087
131 1SAY PYR 3.26087
132 1HDR NAD 3.27869
133 1DRV A3D 3.2967
134 5T9F TYR 3.32103
135 5T9F NAP 3.32103
136 5OJL TXP 3.3557
137 5YEC ATP 3.36134
138 2DC1 NAD 3.38983
139 5OOH NAP 3.39806
140 5OOH 9ZZ 3.39806
141 5OCM NAP 3.43643
142 2HF9 GSP 3.53982
143 3KO8 NAD 3.62319
144 5DF1 58X 3.62319
145 5DF1 NAP 3.62319
146 3QDK QDK 3.62319
147 1YS4 NAP 3.62319
148 5FI3 NAP 3.62319
149 3B20 NAD 3.62319
150 4M37 SAH 3.62319
151 5AHO TLA 3.62319
152 5N6C NAD 3.62319
153 1PJS NAD 3.62319
154 2D2I NAP 3.62319
155 5EES NAP 3.64372
156 1OIV GDP 3.66492
157 5ULP KB1 3.73134
158 4CNE SAH 3.74532
159 5BW4 SAM 3.74532
160 3OIG NAD 3.7594
161 5ZI9 FLC 3.84615
162 1DCP HBI 3.84615
163 1VM6 NAD 3.94737
164 2GN3 MAN 3.96825
165 2GN3 MMA 3.96825
166 2GNB MAN 3.96825
167 2GMM MAN MAN 3.96825
168 2GNM MAN 3.96825
169 2PHU MAN MAN 3.96825
170 2GND MAN 3.96825
171 1Q8V MAN MAN 3.96825
172 4R1S NAP 3.98551
173 1OC2 NAD 3.98551
174 1OC2 TDX 3.98551
175 6D56 FVM 3.98551
176 6D55 FWA 3.98551
177 4E13 NAD 3.98551
178 6D5G FVD 3.98551
179 5KKA 6V0 3.98551
180 2EXX NAP 3.98551
181 2UYQ SAM 3.98551
182 4E5N NAD 3.98551
183 1EZ4 NAD 3.98551
184 4YCA NDP 3.98551
185 3H5N ATP 3.98551
186 2GLX NDP 3.98551
187 6D5H FV7 3.98551
188 6AM8 TRP 3.98551
189 1MUU NAD 3.98551
190 5XNC MTA 3.98551
191 1MV8 NAD 3.98551
192 2ZWA SAH 3.98551
193 6D59 FVJ 3.98551
194 5JE8 NAD 3.98551
195 2WME NAP 3.98551
196 5W7R SAH 3.98551
197 3A4T SFG 4.0146
198 2QZZ NAP 4.08805
199 2QZZ EMF 4.08805
200 1Z0N BCD 4.16667
201 5C2N NAG 4.16667
202 4OHU 2TK 4.34783
203 4OHU NAD 4.34783
204 5IN4 6CK 4.34783
205 5IN4 GDP 4.34783
206 5IN4 NAP 4.34783
207 4GLL NAD 4.34783
208 2PV7 NAD 4.34783
209 3L9W AMP 4.34783
210 1GUZ NAD 4.34783
211 1SOW NAD 4.34783
212 4OOE NDP 4.34783
213 3A70 NPO 4.34783
214 3TWO NDP 4.34783
215 1CER NAD 4.34783
216 1NPD NAD 4.34783
217 5JJR SAH 4.34783
218 5GT9 NAP 4.56274
219 4KU7 PCG 4.57516
220 1DS6 GDP 4.6875
221 2NGR GDP 4.70085
222 5MSO NAP 4.71014
223 4TQG NDP 4.71014
224 3H4V DVP 4.71014
225 5CG1 NAD BBN 4.71014
226 3H4V NAP 4.71014
227 4ZNO SUC 4.71014
228 3B1F NAD 4.71014
229 3K5I AIR 4.71014
230 3VPD CIT 4.71014
231 4GKV NAD 4.71014
232 1PL6 NAD 4.71014
233 1RM4 NDP 4.71014
234 1LLU NAD 4.71014
235 1YKF NAP 4.71014
236 5Z20 NAI 4.71014
237 5ERG SAM 4.71014
238 3H8V ATP 4.71014
239 1H2B NAJ 4.71014
240 5W7K SAH 4.71014
241 3ORF NAD 4.78088
242 1QG6 NAD 4.98084
243 1QG6 TCL 4.98084
244 5JNW 6LJ 5.03145
245 3WV8 ATP 5.04587
246 5JCJ NAP