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Receptor
PDB id Resolution Class Description Source Keywords
1H9Z 2.5 Å NON-ENZYME: OTHER HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID AND THE R-(+) ENANTIOMER OF WARFARIN HOMO SAPIENS TRANSPORT PROTEIN SERUM PROTEIN DRUG BINDING ANTI-COAGULANT
Ref.: CRYSTAL STRUCTURE ANALYSIS OF WARFARIN BINDING TO HUMAN SERUM ALBUMIN: ANATOMY OF DRUG SITE I J.BIOL.CHEM. V. 276 22804 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MYR A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
228.371 C14 H28 O2 CCCCC...
RWF A:3001;
Valid;
none;
Kd = 3.8 uM
308.328 C19 H16 O4 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GNI 2.4 Å NON-ENZYME: OTHER HUMAN SERUM ALBUMIN COMPLEXED WITH CIS-9-OCTADECENOIC ACID (OLEIC ACID) HOMO SAPIENS PLASMA PROTEIN METAL-BINDING LIPID-BINDING GLYCOPROTEIN
Ref.: CRYSTAL STRUCTURES OF HUMAN SERUM ALBUMIN COMPLEXED WITH MONOUNSATURATED AND POLYUNSATURATED FATTY ACIDS. J.MOL.BIOL. V. 314 955 2001
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4E99 - P8S C8 H F17 O3 S C(C(C(C(C(....
2 1E7G - MYR C14 H28 O2 CCCCCCCCCC....
3 2XW1 - 9NV C17 H22 N2 O4 S CCC[C@@H](....
4 4L8U - 9AZ C20 H19 N3 O5 CC[C@](C1=....
5 2XVV - MYR C14 H28 O2 CCCCCCCCCC....
6 2BXK - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
7 2BXH - IOS C8 H7 N O4 S c1ccc2c(c1....
8 4BKE - PLM C16 H32 O2 CCCCCCCCCC....
9 1E7A - PFL C12 H18 O CC(C)c1ccc....
10 4Z69 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
11 1HA2 Kd = 2.9 uM SWF C19 H16 O4 CC(=O)C[C@....
12 6EZQ Kd = 14 uM C7K C18 H26 N4 O5 c1cc(c2c(c....
13 1GNI Kd = 8.5 nM OLA C18 H34 O2 CCCCCCCCC=....
14 5ID7 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
15 2BXA - C1F C12 H16 O5 CCCc1c(c(c....
16 4L9K - EHF C20 H18 N2 O5 CC[C@](C1=....
17 2BXP - P1Z C19 H20 N2 O2 CCCCC1C(=O....
18 2XW0 - 9NF C21 H22 N2 O4 S CN(C)c1ccc....
19 1BJ5 - MYR C14 H28 O2 CCCCCCCCCC....
20 4IW2 - GLC C6 H12 O6 C([C@@H]1[....
21 1E7C - MYR C14 H28 O2 CCCCCCCCCC....
22 4LA0 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 1E7F - DAO C12 H24 O2 CCCCCCCCCC....
24 6A7P Ka = 7.51 M^-1 9SC C23 H27 Cl2 N3 O2 c1cc(c(c(c....
25 2BXI - MYR C14 H28 O2 CCCCCCCCCC....
26 1E7B - HLT C2 H Br Cl F3 [C@@H](C(F....
27 1H9Z Kd = 3.8 uM RWF C19 H16 O4 CC(=O)C[C@....
28 1HK4 Kd = 4.9 uM T44 C15 H11 I4 N O4 c1c(cc(c(c....
29 2BXM - MYR C14 H28 O2 CCCCCCCCCC....
30 1E7E - DKA C10 H20 O2 CCCCCCCCCC....
31 1E7H - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4E99 - P8S C8 H F17 O3 S C(C(C(C(C(....
2 1E7G - MYR C14 H28 O2 CCCCCCCCCC....
3 2XW1 - 9NV C17 H22 N2 O4 S CCC[C@@H](....
4 4L8U - 9AZ C20 H19 N3 O5 CC[C@](C1=....
5 2XVV - MYR C14 H28 O2 CCCCCCCCCC....
6 2BXK - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
7 2BXH - IOS C8 H7 N O4 S c1ccc2c(c1....
8 4BKE - PLM C16 H32 O2 CCCCCCCCCC....
9 1E7A - PFL C12 H18 O CC(C)c1ccc....
10 4Z69 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
11 1HA2 Kd = 2.9 uM SWF C19 H16 O4 CC(=O)C[C@....
12 6EZQ Kd = 14 uM C7K C18 H26 N4 O5 c1cc(c2c(c....
13 1GNI Kd = 8.5 nM OLA C18 H34 O2 CCCCCCCCC=....
14 5ID7 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
15 2BXA - C1F C12 H16 O5 CCCc1c(c(c....
16 4L9K - EHF C20 H18 N2 O5 CC[C@](C1=....
17 2BXP - P1Z C19 H20 N2 O2 CCCCC1C(=O....
18 2XW0 - 9NF C21 H22 N2 O4 S CN(C)c1ccc....
19 1BJ5 - MYR C14 H28 O2 CCCCCCCCCC....
20 4IW2 - GLC C6 H12 O6 C([C@@H]1[....
21 1E7C - MYR C14 H28 O2 CCCCCCCCCC....
22 4LA0 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 1E7F - DAO C12 H24 O2 CCCCCCCCCC....
24 6A7P Ka = 7.51 M^-1 9SC C23 H27 Cl2 N3 O2 c1cc(c(c(c....
25 2BXI - MYR C14 H28 O2 CCCCCCCCCC....
26 1E7B - HLT C2 H Br Cl F3 [C@@H](C(F....
27 1H9Z Kd = 3.8 uM RWF C19 H16 O4 CC(=O)C[C@....
28 1HK4 Kd = 4.9 uM T44 C15 H11 I4 N O4 c1c(cc(c(c....
29 2BXM - MYR C14 H28 O2 CCCCCCCCCC....
30 1E7E - DKA C10 H20 O2 CCCCCCCCCC....
31 1E7H - PLM C16 H32 O2 CCCCCCCCCC....
32 5OTB - PRO C5 H9 N O2 C1C[C@H](N....
33 5OSW - DIU C7 H4 I2 O3 c1c(cc(c(c....
34 5ID9 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
35 4J2V - DIU C7 H4 I2 O3 c1c(cc(c(c....
36 5DQF Kd = 320 uM CZE C21 H25 Cl N2 O3 c1ccc(cc1)....
37 4OT2 - NPS C14 H14 O3 C[C@@H](c1....
38 5DBY Ka = 7730000 M^-1 NPS C14 H14 O3 C[C@@H](c1....
39 4ZBQ Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
40 4ZBR Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4E99 - P8S C8 H F17 O3 S C(C(C(C(C(....
2 1E7G - MYR C14 H28 O2 CCCCCCCCCC....
3 2XW1 - 9NV C17 H22 N2 O4 S CCC[C@@H](....
4 4L8U - 9AZ C20 H19 N3 O5 CC[C@](C1=....
5 2XVV - MYR C14 H28 O2 CCCCCCCCCC....
6 2BXK - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
7 2BXH - IOS C8 H7 N O4 S c1ccc2c(c1....
8 4BKE - PLM C16 H32 O2 CCCCCCCCCC....
9 1E7A - PFL C12 H18 O CC(C)c1ccc....
10 4Z69 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
11 1HA2 Kd = 2.9 uM SWF C19 H16 O4 CC(=O)C[C@....
12 6EZQ Kd = 14 uM C7K C18 H26 N4 O5 c1cc(c2c(c....
13 1GNI Kd = 8.5 nM OLA C18 H34 O2 CCCCCCCCC=....
14 5ID7 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
15 2BXA - C1F C12 H16 O5 CCCc1c(c(c....
16 4L9K - EHF C20 H18 N2 O5 CC[C@](C1=....
17 2BXP - P1Z C19 H20 N2 O2 CCCCC1C(=O....
18 2XW0 - 9NF C21 H22 N2 O4 S CN(C)c1ccc....
19 1BJ5 - MYR C14 H28 O2 CCCCCCCCCC....
20 4IW2 - GLC C6 H12 O6 C([C@@H]1[....
21 1E7C - MYR C14 H28 O2 CCCCCCCCCC....
22 4LA0 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 1E7F - DAO C12 H24 O2 CCCCCCCCCC....
24 6A7P Ka = 7.51 M^-1 9SC C23 H27 Cl2 N3 O2 c1cc(c(c(c....
25 2BXI - MYR C14 H28 O2 CCCCCCCCCC....
26 1E7B - HLT C2 H Br Cl F3 [C@@H](C(F....
27 1H9Z Kd = 3.8 uM RWF C19 H16 O4 CC(=O)C[C@....
28 1HK4 Kd = 4.9 uM T44 C15 H11 I4 N O4 c1c(cc(c(c....
29 2BXM - MYR C14 H28 O2 CCCCCCCCCC....
30 1E7E - DKA C10 H20 O2 CCCCCCCCCC....
31 1E7H - PLM C16 H32 O2 CCCCCCCCCC....
32 5OKL - PAM C16 H30 O2 CCCCCCC=C/....
33 5OTB - PRO C5 H9 N O2 C1C[C@H](N....
34 5OSW - DIU C7 H4 I2 O3 c1c(cc(c(c....
35 5ID9 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
36 4J2V - DIU C7 H4 I2 O3 c1c(cc(c(c....
37 5DQF Kd = 320 uM CZE C21 H25 Cl N2 O3 c1ccc(cc1)....
38 4OT2 - NPS C14 H14 O3 C[C@@H](c1....
39 5DBY Ka = 7730000 M^-1 NPS C14 H14 O3 C[C@@H](c1....
40 4ZBQ Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 4ZBR Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Ligand no: 2; Ligand: RWF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 RWF 1 1
2 SWF 1 1
3 U01 0.478873 0.725
4 U03 0.426667 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 1gni.bio1) has 153 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 4F4S EFO None
3 4WG0 CHD None
4 5MT9 ARG None
5 2RH1 CLR 1
6 4O1Z MXM 1.05448
7 3TDC 0EU 1.19658
8 2P1C GG3 1.53846
9 4DXJ 0M9 1.65746
10 4DXJ IPE 1.65746
11 3W54 RNB 1.82371
12 1GEG GLC 1.95312
13 3ETG GTP 1.99601
14 5G3L SIA GAL 2.0202
15 6CB2 OLC 2.04778
16 3HP9 CF1 2.07469
17 1E4I NFG 2.23714
18 3SQP 3J8 2.30126
19 4I90 CHT 2.31023
20 5K52 OCD 2.64151
21 5DXE EST 2.68199
22 2QA8 GEN 2.71318
23 5HYR EST 2.71318
24 2QZO KN1 2.71318
25 4MGA 27L 2.7451
26 4MGB XDH 2.7451
27 4TUZ 36J 2.7451
28 3LDW IPE 2.77778
29 3LDW ZOL 2.77778
30 4TV1 36M 2.78884
31 1W96 S1A 2.88809
32 5ZBK AMP 2.95567
33 5OLK DTP 3.02326
34 3BJC WAN 3.24786
35 2E2R 2OH 3.27869
36 1I0B PEL 3.31325
37 5NM7 GLY 3.38346
38 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.40136
39 3ET1 ET1 3.43643
40 3KDU NKS 3.61011
41 2WH8 II2 3.63196
42 3E70 GDP 3.65854
43 3EE4 MYR 3.71517
44 1ZEI CRS 3.77358
45 3BEJ MUF 3.78151
46 1R6N 434 3.79147
47 5K53 STE 3.81679
48 1F76 ORO 3.86905
49 1M2Z BOG 3.89105
50 1M2Z DEX 3.89105
51 1Y42 TYR 4.08163
52 1RL4 BL5 4.25532
53 1NF8 BOG 4.34783
54 5XJ7 87O 4.47761
55 1TV5 N8E 4.51467
56 5MBC FMN 4.53258
57 1ID0 ANP 4.60526
58 3SHZ 5CO 4.61095
59 5OCA 9QZ 4.7619
60 3F8C HT1 4.7619
61 3ET3 ET1 4.79452
62 3OGN 3OG 4.83871
63 3B99 U51 4.84211
64 2HHP FLC 4.90566
65 1RDT 570 4.92958
66 5W7B MYR 4.96454
67 2HFP NSI 4.96454
68 1U3R 338 4.97925
69 2YJD YJD 5
70 2P4Y C03 5.05415
71 4D7M TDC 5.06912
72 4F7E 0SH 5.10204
73 2YNC YNC 5.20833
74 4YMU ARG 5.41667
75 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 5.47445
76 4P6X HCY 5.4902
77 3BIY 01K 5.52632
78 2CNT COA 5.625
79 5LGA 6VH 5.66667
80 4O4Z N2O 5.84416
81 5UC4 83S 5.90909
82 2BJ4 OHT 5.95238
83 1POC GEL 5.97015
84 4IA6 EIC 5.98291
85 1UUY PPI 5.98802
86 6AYI C3G 6.03015
87 1Q7E MET 6.07477
88 1DTL BEP 6.21118
89 5IM3 DTP 6.32479
90 4WGF HX2 6.34146
91 2HJ3 FAD 6.4
92 3MBG FAD 6.47482
93 4QC6 30N 6.70391
94 2PRG BRL 6.81818
95 3IX9 MTX 6.84211
96 4I67 G G G RPC 6.89655
97 1XVB 3BR 7.05882
98 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.11297
99 4DDY DN6 7.22433
100 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 7.3913
101 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.56302
102 4NB5 2JT 7.60234
103 3NB0 G6P 7.69231
104 5LX9 OLB 7.81759
105 6DIO CIT 7.92541
106 5C1M OLC 8
107 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 8.16327
108 1YOK P6L 8.20312
109 5LWY OLB 8.21918
110 1NU4 MLA 8.24742
111 2BCG GER 8.25243
112 4DOO DAO 8.29268
113 3GWL FAD 8.49057
114 1JR8 FAD 8.54701
115 4UMJ BFQ 8.78378
116 3O55 FAD 8.8
117 5B4B LP5 8.87097
118 5MZI FYK 9.05983
119 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 9.09091
120 2HFN FMN 9.15033
121 3KP6 SAL 9.27152
122 4V1F BQ1 9.30233
123 1RV1 IMZ 9.41177
124 4RC8 STE 9.45946
125 2GWH PCI 10.4027
126 1T0S BML 10.4651
127 4OGQ UMQ 10.8108
128 4OGQ 7PH 10.8108
129 4OGQ 1O2 10.8108
130 4OGQ SQD 10.8108
131 5UGW GSH 11.4286
132 5AAV GW5 11.5079
133 2D5X L35 12.3288
134 1HBK MYR 12.3596
135 1SR7 MOF 12.7413
136 3KMZ EQO 12.782
137 4OAR 2S0 12.7907
138 1OQC FAD 12.8
139 2BHW NEX 12.931
140 5M36 9SZ 13.1579
141 5CHR 4NC 13.8686
142 1H9G COA MYR 13.9918
143 5V3Y 5V8 14.6853
144 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 16.0714
145 2EV1 OLA 16.2162
146 4IBF 1D5 16.2791
147 5AZC PGT 16.3333
148 5Y02 HBX 20.5607
149 2Y69 CHD 24.3243
150 5Z84 CHD 24.6575
151 5ZCO PGV 24.6575
152 5ZCO CHD 24.6575
153 2DYS PGV 24.6575
154 5Z84 PGV 24.6575
155 1J78 VDY 42.3581
156 1J78 OLA 42.3581
Pocket No.: 2; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 1gni.bio1) has 159 residues
No: Leader PDB Ligand Sequence Similarity
1 5LOF 70R 2.12355
2 4WQ2 3SU 2.31214
3 5WGD EST 2.68199
4 3UUD EST 2.78884
5 2QE4 JJ3 3.22581
6 3FAL LO2 3.38346
7 4P6W MOF 3.57143
8 6C0B PAM 3.84615
9 6C1R EFD 4.9763
10 3FUR Z12 5.14706
11 3BQD DAY 5.4902
12 1U26 IHS 5.93472
13 5GUE GGS 6.64653
14 3HR1 PF9 7.10526
15 3L0E G58 7.50988
16 3KFC 61X 7.50988
17 2GAG FOA 10
18 5W97 CHD 24.6575
19 2DYR PGV 24.6575
Pocket No.: 3; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: 99
This union binding pocket(no: 3) in the query (biounit: 1gni.bio1) has 105 residues
No: Leader PDB Ligand Sequence Similarity
1 1L0I PSR None
2 2RH1 CAU 1
3 4F06 PHB 1.61725
4 5ZXD ATP 1.64835
5 4KCF AKM 1.76211
6 2HKJ RDC 1.91898
7 5IKR ID8 2.17786
8 5J6A P46 2.25
9 4EIL FOL 2.29682
10 3QCP FAD 2.34043
11 2WPX ACO 2.35988
12 3G58 988 2.3622
13 2OZ5 7XY 2.36486
14 5CQG 55C 2.39316
15 6FX0 E9T 2.42291
16 4NSQ COA 2.63158
17 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 2.67686
18 3LLI FAD 2.68199
19 5WGQ EST 2.68199
20 5KOR GDP 2.68714
21 1DB1 VDX 2.7027
22 4MG9 27K 2.7451
23 4MG7 27H 2.7451
24 4MGD 27N 2.7451
25 1ZPD CIT 2.90598
26 5EY0 GTP 2.91971
27 1CM0 COA 2.97619
28 4RW3 TDA 2.98013
29 4RW3 SHV 2.98013
30 1SJD NPG 2.98913
31 4QEK GLC 2.99003
32 5B25 4QJ 3.25444
33 1IYK MYA 3.31633
34 3FAL REA 3.38346
35 4UCC ZKW 3.43348
36 1K7L 544 3.47222
37 6F6E PLM 3.48101
38 6C0B MLI 3.84615
39 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 4.0404
40 1UBY DMA 4.08719
41 3L1N PLM 4.12371
42 1YRX FMN 4.13223
43 3IA4 MTX 4.32099
44 1NQ7 ARL 4.5082
45 5HCN DAO 4.5977
46 4KVL PLM 4.61538
47 2C49 ANP 4.63576
48 4JZB P2H 4.69613
49 1SO2 666 4.7619
50 1OYJ GSH 4.7619
51 4EKQ NPO 4.81283
52 1YC4 43P 4.92424
53 3DFR MTX 4.93827
54 4LH7 NMN 4.95356
55 1N4H REA 5.01931
56 2XN5 FUN 5.14286
57 3H0A D30 5.14706
58 1OBD ATP 5.22876
59 6BJO DUY 5.6
60 3AI3 SOE 5.70342
61 2XOC ADP 5.74713
62 1WMA AB3 5.7971
63 4LWU 20U 5.88235
64 3ZPG 5GP 6.02094
65 4OAS 2SW 6.25
66 1XMY ROL 6.28141
67 1XM4 PIL 6.28141
68 1X0P FAD 6.29371
69 3G4Q MCH 6.84932
70 2WG9 OCA 6.92308
71 1NHZ 486 7.14286
72 2IYG FMN 7.25806
73 5C1M CLR 8
74 5UNJ RJW 8.57143
75 1ZDU P3A 8.57143
76 4GFD 0YB 8.78049
77 3EWK FAD 8.81057
78 4YSX E23 8.97436
79 2LBD REA 8.98876
80 3AHQ FAD 9.24731
81 3N7S 3N7 9.375
82 3U5S FAD 9.52381
83 1DKF OLA 10.2128
84 1DKF BMS 10.2128
85 1FCZ 156 10.2128
86 4OGQ 2WM 10.8108
87 4ELG 52J 10.8434
88 4ELG 52I 10.8434
89 1FK5 OLA 11.828
90 1M48 FRG 13.5338
91 3GWN FAD 14.0351
92 1N8V BDD 16.0714
93 3EYK EYK 16.8605
94 1S8G DAO 18.1818
95 2DYR TGL 24.6575
96 2DYS TGL 24.6575
97 5ZCO TGL 24.6575
98 1Q2C COA 36.8421
99 1UO5 PIH 38.2353
Pocket No.: 4; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 1gni.bio1) has 156 residues
No: Leader PDB Ligand Sequence Similarity
1 4NKW PLO 1.82186
2 2Z7I 742 3.23529
3 2PX6 DH9 3.48101
4 3GZ9 D32 4.08922
5 6GL8 F3Q 4.65116
6 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 5.62914
7 2QJY UQ2 5.88235
8 1XQP 8HG 7.42188
9 5G3N X28 7.87402
10 4ZGM 32M 12.9032
Pocket No.: 5; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: 114
This union binding pocket(no: 5) in the query (biounit: 1gni.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 3CV2 COA 1.12782
3 1GJW GLC 1.53846
4 2ZJ5 ADP 1.53846
5 4QBK 3NZ 1.54639
6 1ZED PNP 1.65289
7 5L2R MLA 1.7094
8 3G5D 1N1 1.74825
9 2VBQ BSJ 1.81818
10 4LY9 S6P 2.05128
11 4LY9 1YY 2.05128
12 3LN0 52B 2.05128
13 3OID TCL 2.32558
14 2JC9 ADN 2.34234
15 4OHU 2TK 2.42215
16 4OHU NAD 2.42215
17 6FS8 E4Z 2.43902
18 3B9Z CO2 2.57732
19 4F97 GDP 2.61569
20 4URN NOV 2.66667
21 1J1R ADE 2.68199
22 5CX6 CDP 2.73504
23 3P9T TCL 2.73973
24 2VL8 UDP 2.74725
25 4O08 PO6 2.80374
26 1M0U GSH 2.81124
27 4MRP GSH 2.90598
28 4IGH 1EA 2.95699
29 4IGH ORO 2.95699
30 4IGH FMN 2.95699
31 1PSC EBP 3.0137
32 4S00 AKR 3.13199
33 4OB6 S2T 3.22581
34 1C5C TK4 3.27103
35 3NY4 SMX 3.39623
36 2OFE NAG 3.52113
37 3ZCB ATP 3.53535
38 4I6G FAD 3.71094
39 5LXB 7A9 3.71901
40 5VZ0 2BA 3.76068
41 3X01 AMP 3.81679
42 4Y2B EPK 3.85604
43 4DJA FAD 3.861
44 4DJA DLZ 3.861
45 5A0U CHT 3.93162
46 4AIG FLX 3.9801
47 5U98 1KX 4.0404
48 2PSJ CEI 4.07523
49 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 4.08163
50 5V13 JH3 4.16667
51 5UFN SAH 4.20168
52 1IUP ALQ 4.25532
53 5XJD 87L 4.54545
54 5MEX SZZ 4.65839
55 3G3N TC8 4.71698
56 6MVU K4V 4.78632
57 3RWP ABQ 4.95726
58 1SBR VIB 5
59 4F4P 0SB 5.12821
60 4XCP PLM 5.29412
61 4NV0 MG7 5.32915
62 4JGX PLM 5.42636
63 4WH9 3M8 5.46448
64 3SFI 3SF 5.50847
65 2UW1 GVM 5.6213
66 5CC2 CKA 5.66038
67 2REG CHT 5.7047
68 6A0S NDP 5.72289
69 1JGS SAL 5.7971
70 2XMY CDK 6.04027
71 2HZL PYR 6.30137
72 5FQK 6NT 6.3197
73 6CGN DA 6.32479
74 5X3R 7Y3 6.34146
75 6BWL UDP 6.70732
76 5X80 SAL 6.875
77 1XVB BHL 7.05882
78 4URG C2E 7.18563
79 4DE3 DN8 7.22433
80 5FVJ ACO 7.83133
81 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 8
82 3SDV 911 8.03419
83 2CB8 MYA 8.04598
84 4URX FK1 8.10811
85 5NTW 98N 8.17121
86 1C9K 5GP 8.33333
87 3KCG NTP 8.47458
88 5NTP 98E 8.82353
89 3WFD AXO 8.90411
90 3SCM LGN 9.09091
91 2QES ADE 9.1954
92 2D5Z L35 9.21986
93 2B4D COA 9.35672
94 4H6U ACO 9.5
95 1LNX URI 9.87654
96 1MID LAP 9.89011
97 5M37 9SZ 10
98 5AIP 4HP 10.274
99 4B5P ACO 10.5
100 1MT1 AG2 10.6195
101 3I9U DTU 10.6464
102 1MRH FMC 11.0266
103 1XX4 BAM 11.1111
104 5U83 ZN8 11.3208
105 6CHP F0Y 11.8012
106 1HBK COA 12.3596
107 6ESN BWE 12.3596
108 4IAE 1DX 12.6984
109 2FDW D3G 13.6555
110 5IXK 6EW 14.4737
111 2QQC AG2 17.8571
112 2GBB CIT 19.2308
113 5Y02 MXN 20.5607
114 1UO4 PIH 38.2353
Pocket No.: 6; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1gni.bio1) has 159 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1GNI; Ligand: OLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1gni.bio1) has 159 residues
No: Leader PDB Ligand Sequence Similarity
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