Receptor
PDB id Resolution Class Description Source Keywords
4TKJ 0.87 Å NON-ENZYME: BINDING THE 0.87 ANGSTROM X-RAY STRUCTURE OF THE HUMAN HEART FATTY A BINDING PROTEIN COMPLEXED WITH PALMITIC ACID HOMO SAPIENS ANTIPARALLEL BETA BARREL FATTY ACID-BINDING PROTEIN HUMAN PALMITIC ACID LIPID BINDING PROTEIN
Ref.: WATER-MEDIATED RECOGNITION OF SIMPLE ALKYL CHAINS B HEART-TYPE FATTY-ACID-BINDING PROTEIN ANGEW.CHEM.INT.ED.ENGL. V. 54 1508 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLP A:204;
Invalid;
none;
submit data
259.151 C6 H14 N O8 P C([C@...
PLM A:201;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
P6G A:202;
A:203;
Invalid;
Invalid;
none;
none;
submit data
282.331 C12 H26 O7 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HZ9 2.3 Å NON-ENZYME: BINDING HUMAN FABP3 IN COMPLEX WITH 6-CHLORO-2-METHYL-4-PHENYL-QUINO CARBOXYLIC ACID HOMO SAPIENS LIPID BINDING PROTEIN FATTY ACID BINDING PROTEIN CYTOPLASMBINDING TRANSPORT PROTEIN BINDING _PHENIX
Ref.: DESIGN AND SYNTHESIS OF SELECTIVE, DUAL FATTY ACID PROTEIN 4 AND 5 INHIBITORS. BIOORG. MED. CHEM. LETT. V. 26 5092 2016
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
2 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
3 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
4 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
5 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
6 4WBK - STE C18 H36 O2 CCCCCCCCCC....
7 3WVM - STE C18 H36 O2 CCCCCCCCCC....
8 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
9 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
10 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
11 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
22 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
23 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
24 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
25 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
26 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
27 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
28 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
29 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
30 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
31 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
32 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
33 4WBK - STE C18 H36 O2 CCCCCCCCCC....
34 3WVM - STE C18 H36 O2 CCCCCCCCCC....
35 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
36 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
37 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
38 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
39 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
40 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
41 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
42 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
43 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
44 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
45 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
46 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
47 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
48 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
49 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
50 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
51 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
50% Homology Family (104)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
22 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
23 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
24 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
25 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
26 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
27 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
28 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
29 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
30 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
31 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
32 2G78 - REA C20 H28 O2 CC1=C(C(CC....
33 2CBS Ki = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
34 1CBS - REA C20 H28 O2 CC1=C(C(CC....
35 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
36 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
37 3CBS Ki = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
38 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
39 2G7B - AZE C20 H30 CC=C(/C)C=....
40 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
41 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
42 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
43 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
44 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
45 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
46 4WBK - STE C18 H36 O2 CCCCCCCCCC....
47 3WVM - STE C18 H36 O2 CCCCCCCCCC....
48 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
49 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
50 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
51 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
52 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
53 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
54 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
55 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
56 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
57 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
58 3STM - PLM C16 H32 O2 CCCCCCCCCC....
59 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
60 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
61 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
62 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
63 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
64 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
65 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
66 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
67 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
68 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
69 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
70 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
71 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
72 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
73 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
74 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
75 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
76 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
77 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
78 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
79 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
80 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
81 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
82 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
83 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
84 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
85 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
86 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
87 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
88 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
89 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
90 1CRB - RTL C20 H30 O CC1=C(C(CC....
91 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
92 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
93 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
94 2RCT - RTL C20 H30 O CC1=C(C(CC....
95 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
96 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
97 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
98 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
99 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
100 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
101 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
102 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
103 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
104 1KQW - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HZ9; Ligand: 5M8; 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: 5hz9.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 26
This union binding pocket(no: 2) in the query (biounit: 5hz9.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KYQ DPV 0.0377 0.40291 None
2 1OW4 2AN 0.02258 0.40301 1.55039
3 3KP6 SAL 0.001099 0.49577 2.22222
4 4OFG PCG 0.01298 0.41486 2.22222
5 1H0A I3P 0.03569 0.40335 2.96296
6 4IMO PWZ 0.0218 0.41923 3.7037
7 4UCC ZKW 0.01234 0.41259 3.7037
8 4I3G BGC 0.03407 0.40131 3.7037
9 1A05 IPM 0.02543 0.41379 5.18518
10 4FFG 0U8 0.002808 0.4561 5.92593
11 4V3I ASP LEU THR ARG PRO 0.01086 0.43659 6.66667
12 4RW3 SHV 0.03293 0.41204 6.66667
13 4IAW LIZ 0.02998 0.40421 6.66667
14 2CIR BG6 0.04267 0.4007 6.66667
15 5M77 7K2 7K3 0.02248 0.4031 7.40741
16 2OVD DAO 0.001428 0.48235 8.14815
17 1XE7 GUN 0.003817 0.44272 9.62963
18 2JHP GUN 0.03843 0.41479 10.3704
19 2CYC TYR 0.02575 0.41306 10.3704
20 1XL8 152 0.02554 0.41278 10.3704
21 4FE2 AIR 0.03031 0.4002 14.8148
22 2BCG GER 0.02109 0.41215 20
23 1YOK P6L 0.00591 0.40189 22.2222
24 2NSX IFM 0.00924 0.41451 25.1852
25 1LFO OLA 0.008389 0.40956 30.4688
26 5XNA SHV 0.0000000482 0.42315 32.5926
Pocket No.: 3; Query (leader) PDB : 5HZ9; Ligand: 5M8; 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: 5hz9.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 14
This union binding pocket(no: 4) in the query (biounit: 5hz9.bio4) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NS0 PIO 0.02348 0.41317 None
2 2P7Q GG6 0.0009141 0.40845 None
3 4Q0L V14 0.005206 0.41798 3.7037
4 1ZB6 GST 0.0108 0.40922 6.66667
5 1ZB6 DIN 0.01221 0.40544 6.66667
6 3FW4 CAQ 0.01246 0.40228 6.66667
7 4ORM FMN 0.04259 0.40675 7.40741
8 4ORM 2V6 0.04259 0.40675 7.40741
9 4ORM ORO 0.04259 0.40675 7.40741
10 2GJ5 VD3 0.02136 0.40333 7.40741
11 3VQ2 LP4 LP5 MYR DAO 0.02855 0.40195 11.1111
12 1SQI 869 0.002831 0.41378 14.0741
13 1YUC EPH 0.006 0.41519 22.2222
14 5HX1 UMP 0.01136 0.41809 24.6377
Pocket No.: 5; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 5hz9.bio6) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AMT GPP 0.01366 0.40731 3.7037
2 1SR7 MOF 0.01043 0.41953 9.62963
3 1M13 HYF 0.009677 0.42111 11.8519
Pocket No.: 6; Query (leader) PDB : 5HZ9; Ligand: 5M8; 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: 5hz9.bio3) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 4
This union binding pocket(no: 7) in the query (biounit: 5hz9.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ML3 DL3 0.008342 0.42271 2.22222
2 3Q8G PEE 0.02739 0.41066 2.22222
3 5XVQ 8GC 0.02371 0.40126 10.3704
4 2XIQ MLC 0.01307 0.40665 18.5185
Pocket No.: 8; Query (leader) PDB : 5HZ9; Ligand: 5M8; 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: 5hz9.bio7) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 12
This union binding pocket(no: 9) in the query (biounit: 5hz9.bio7) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KFF XBT 0.01203 0.41293 None
2 3KFF ZBT 0.01203 0.41293 None
3 4AIA ADK 0.02578 0.40383 None
4 3FSM 2NC 0.02229 0.40351 6.66667
5 2I0D MUT 0.03144 0.41644 8.08081
6 2P3B 3TL 0.0223 0.40655 8.08081
7 4P6X HCY 0.009455 0.40317 8.14815
8 1NRL SRL 0.01079 0.40058 11.8519
9 2GWH PCI 0.009742 0.40849 14.8148
10 4POJ 2VP 0.004131 0.42474 19.2593
11 4HMT NNV 0.008023 0.41599 22.2222
12 4HMT FMN 0.009293 0.41158 22.2222
Pocket No.: 10; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5hz9.bio7) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5hz9.bio7) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5hz9.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 2
This union binding pocket(no: 13) in the query (biounit: 5hz9.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GET FAD 0.03833 0.41081 4.44444
2 3OG9 MLT 0.02193 0.4065 8.88889
Pocket No.: 14; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 4
This union binding pocket(no: 14) in the query (biounit: 5hz9.bio8) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AIG VPR 0.01557 0.40069 6.4
2 4OMJ 2TX 0.01595 0.40502 11.8519
3 4ZOM 4Q3 0.02393 0.40197 13.3333
4 4MNS 2AX 0.0351 0.40164 13.3333
Pocket No.: 15; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5hz9.bio8) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: 27
This union binding pocket(no: 16) in the query (biounit: 5hz9.bio5) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R40 EPH 0.001479 0.44337 None
2 3RY9 1CA 0.002982 0.41989 None
3 4E2J MOF 0.001186 0.41601 None
4 1G2N EPH 0.005443 0.41196 None
5 2ZPT A3P 0.008442 0.43258 1.48148
6 2QZO KN1 0.006226 0.40234 2.22222
7 3RV5 DXC 0.04663 0.40298 2.24719
8 4TUZ 36J 0.002269 0.41196 2.96296
9 4MGB XDH 0.003691 0.40839 2.96296
10 3FU7 KIA 0.03005 0.40061 2.96296
11 1ZDT PEF 0.004233 0.42145 4.44444
12 5L7G 6QE 0.004198 0.41523 4.44444
13 1U3R 338 0.00443 0.40435 4.44444
14 2I0G I0G 0.03129 0.40279 4.44444
15 4A7W GTP 0.01232 0.4257 5.92593
16 2A3I C0R 0.00296 0.42007 5.92593
17 3OPT AKG 0.028 0.40154 6.66667
18 4I9B 1KA 0.009863 0.41717 7.40741
19 1M2Z DEX 0.001824 0.41966 8.14815
20 2AX9 BHM 0.01374 0.41226 8.14815
21 4OAR 2S0 0.002832 0.41903 9.62963
22 1YMT DR9 0.009037 0.40811 11.1111
23 5APK 76E 0.007408 0.41199 13.3333
24 4P6W MOF 0.001094 0.41768 19.2593
25 4M8E 29V 0.004254 0.41498 19.2593
26 4LSJ LSJ 0.00324 0.41837 21.4815
27 3H0A 9RA 0.004363 0.40899 37.7778
Pocket No.: 17; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 5hz9.bio5) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback