-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 F:202;
B:201;
F:203;
A:201;
H:201;
G:202;
C:201;
A:203;
G:201;
B:202;
D:202;
D:201;
F:201;
E:202;
C:202;
B:203;
E:201;
E:203;
A:202;
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;
submit data
96.063 O4 S [O-]S...
5M8 B:205;
G:205;
G:206;
A:205;
C:203;
A:206;
B:204;
G:204;
E:204;
C:204;
E:205;
G:207;
H:204;
A:204;
F:204;
H:203;
D:203;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 0.093 uM
297.736 C17 H12 Cl N O2 Cc1c(...
CL G:203;
H:202;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
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 510 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 (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 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 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
23 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
24 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
25 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
26 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
27 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
28 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
29 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
30 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
31 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
32 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
33 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
34 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
35 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
36 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
37 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
38 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
39 4WBK - STE C18 H36 O2 CCCCCCCCCC....
40 3WVM - STE C18 H36 O2 CCCCCCCCCC....
41 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
42 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
43 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
44 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
45 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
46 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
47 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
48 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
49 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
50 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
51 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
52 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
53 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
54 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
55 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
56 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
57 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
58 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
59 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
60 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (113)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 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 5L8O - CHD C24 H40 O5 C[C@H](CCC....
22 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
23 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
24 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
25 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
26 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
27 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
28 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
29 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
30 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
31 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
32 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
33 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
34 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
35 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
36 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
37 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
38 2G78 - REA C20 H28 O2 CC1=C(C(CC....
39 2CBS Ki = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
40 1CBS - REA C20 H28 O2 CC1=C(C(CC....
41 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
42 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
43 3CBS Ki = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
44 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
45 2G7B - AZE C20 H30 CC=C(/C)C=....
46 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
47 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
48 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
49 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
50 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
51 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
52 4WBK - STE C18 H36 O2 CCCCCCCCCC....
53 3WVM - STE C18 H36 O2 CCCCCCCCCC....
54 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
55 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
56 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
57 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
58 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
59 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
60 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
61 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
62 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
63 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
64 3STM - PLM C16 H32 O2 CCCCCCCCCC....
65 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
66 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
67 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
68 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
69 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
70 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
71 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
72 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
73 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
74 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
75 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
76 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
77 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
78 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
79 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
80 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
81 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
82 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
83 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
84 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
85 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
86 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
87 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
88 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
89 1CRB - RTL C20 H30 O CC1=C(C(CC....
90 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
91 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
92 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
93 2RCT - RTL C20 H30 O CC1=C(C(CC....
94 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
95 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
96 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
97 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
98 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
99 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
100 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
101 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
102 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
103 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
104 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
105 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
106 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
107 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
108 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
109 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
110 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
111 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
112 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
113 1KQW - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5M8; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5M8 1 1
2 65Y 0.467532 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 127
This union binding pocket(no: 1) in the query (biounit: 5hz9.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 None
2 4JH6 FCN None
3 3A76 SPD None
4 3AQT RCO None
5 4QM9 CYS None
6 1NKI PPF None
7 1ZS6 ADP None
8 4QXB OGA None
9 1DZK PRZ None
10 6GNO XDI None
11 5N8V KZZ None
12 3RGA LSB None
13 3RY9 1CA None
14 5O0J GLC None
15 4V1F BQ1 None
16 2E56 MYR None
17 3KFF ZBT None
18 3KFF XBT None
19 4E2J MOF None
20 4ZU5 THM None
21 3BRN SRO None
22 1UO5 PIH None
23 4WG0 CHD None
24 6A6A DAL None
25 2R40 EPH None
26 1UCN ADP None
27 3M3E GAL A2G NPO 1.48148
28 3KP6 SAL 2.22222
29 5ZZB LAB 2.22222
30 4OFG PCG 2.22222
31 4B1X LAB 2.22222
32 1SQK LAR 2.22222
33 3HP9 CF1 2.22222
34 1F4F TP3 2.22222
35 2YKL NLD 2.22222
36 2QA8 GEN 2.22222
37 3RV5 DXC 2.24719
38 3UUA 0CZ 2.96296
39 4MG7 27H 2.96296
40 5XG5 A2G 2.96296
41 1H0A I3P 2.96296
42 2Q8G AZX 2.96296
43 4IMO PWZ 3.7037
44 6D61 4AA 4.44444
45 5JSP DQY 4.44444
46 4WGF HX2 4.44444
47 4R29 SAM 4.44444
48 4HPP GLU 4.44444
49 1YYE 196 4.44444
50 1U3R 338 4.44444
51 2D5X L35 5.18518
52 3NJQ NJQ 5.18518
53 3UG4 AHR 5.18518
54 3PUR 2HG 5.18518
55 5K21 6QF 5.18518
56 6CI9 F3V 5.18518
57 4B1M FRU FRU 5.92593
58 4FFG 0U8 5.92593
59 5C1M OLC 5.92593
60 5YEE LAB 5.92593
61 4A7W GTP 5.92593
62 4Q1A UDP 5.92593
63 4Q1A 2XZ 5.92593
64 5TPV TYD 5.92593
65 1F1V DHY 5.92593
66 2D4V FLC 5.92593
67 3VV1 GAL FUC 6.25
68 4EE7 PIS 6.66667
69 6AC9 ANP 6.66667
70 3B00 16A 6.66667
71 3FW4 CAQ 6.66667
72 4V3I ASP LEU THR ARG PRO 6.66667
73 1S5O 152 6.66667
74 4IAW LIZ 6.66667
75 2WD7 VGD 7.40741
76 5HCN DAO 7.40741
77 2OVD DAO 8.14815
78 4F9C 0SX 8.14815
79 3T3Z 9PL 8.14815
80 4S1D 41M 8.14815
81 4P6X HCY 8.14815
82 3NNT DQA 8.88889
83 5INJ 6C7 8.88889
84 5KJW 53C 8.88889
85 5NBW 8SK 8.88889
86 2Z77 NCA 8.88889
87 5KO1 6UY 8.88889
88 5ZZA LAB 9.09091
89 5Y4K AKR 9.62963
90 5EO8 TFU 9.62963
91 5OSW DIU 9.62963
92 4OAR 2S0 9.62963
93 1N5S ADL 9.82143
94 2CYC TYR 10.3704
95 1XL8 152 10.3704
96 4W6Z ETF 11.1111
97 2WHL MAN BMA BMA 11.1111
98 3ACT BGC 11.1111
99 1Q79 3AT 11.1111
100 4URG C2E 11.8519
101 5KOD IAC 11.8519
102 5FXD H7Y 11.8519
103 2GDV BGC 11.8519
104 1NRL SRL 11.8519
105 3NZ1 3NY 11.8519
106 3ZGJ RMN 12.5926
107 5OPM DTP 12.5926
108 2UXR ICT 13.3333
109 1GJW GLC 13.3333
110 3NB0 G6P 13.3333
111 1SQI 869 14.0741
112 1QY1 PRZ 14.0741
113 2GWH PCI 14.8148
114 2WL9 MBD 15.5556
115 5LXB 7A9 15.5556
116 3QVV A3P 15.5556
117 5BVB DOG 15.9091
118 2YLN CYS 17.037
119 3PGU OLA 17.7778
120 2FCU AKG 19.2593
121 4P6W MOF 19.2593
122 5N26 CPT 20
123 4OGQ 7PH 20
124 1YOK P6L 22.2222
125 1LFO OLA 30.4688
126 5XNA SHV 32.5926
127 1Y2F WAI 34.0741
Pocket No.: 2; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 78
This union binding pocket(no: 2) in the query (biounit: 5hz9.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z0N BCD None
2 1XPJ TLA None
3 6BR8 6OU None
4 5X80 SAL None
5 4G86 BNT None
6 2VWA PTY None
7 1QB7 ADE None
8 5X3R 7Y3 None
9 3KYQ DPV None
10 1MZV AMP None
11 4CNO 9PY None
12 1ZEI CRS None
13 5EY0 GTP None
14 3H4V DVP 1.48148
15 1OW4 2AN 1.55039
16 6BMS POV 2.22222
17 5M37 9SZ 2.96296
18 4TV1 36M 2.96296
19 4UCC ZKW 3.7037
20 4I3G BGC 3.7037
21 1OJJ GLC GAL 3.7037
22 1OJK GLC BGC 3.7037
23 5D9G GLU ASN LEU TYR PHE GLN 3.7037
24 4NFE BEN 5.18518
25 5T63 ALA ALA ALA ALA 5.18518
26 4F06 PHB 5.18518
27 1A05 IPM 5.18518
28 2GVV DI9 5.18518
29 5OES ADP 5.18518
30 3HB5 NAP 5.18518
31 4O4Z N2O 5.92593
32 4CIB 7UZ 5.92593
33 3W54 RNB 5.92593
34 1NSZ GLC 5.92593
35 4XZ3 ACP 5.92593
36 2O1V ADP 5.92593
37 5Y02 HBX 6.54206
38 4H6B 10Y 6.66667
39 4RW3 SHV 6.66667
40 6C1R EFD 6.66667
41 3V8S 0HD 6.66667
42 2CIR BG6 6.66667
43 1R6N 434 7.40741
44 4IA6 EIC 7.40741
45 5M77 7K2 7K3 7.40741
46 4DE2 DN3 8.14815
47 5V3Y 5V8 8.14815
48 2HHP FLC 8.88889
49 5LX9 OLB 8.88889
50 1XE7 GUN 9.62963
51 4NRT 2NG 9.62963
52 3BJC WAN 9.62963
53 5LWY OLB 10.084
54 2XVL PXN 10.3704
55 2JHP GUN 10.3704
56 2GPT TLA 10.3704
57 5J32 IPM 10.3704
58 3BXO UPP 10.3704
59 6CB2 OLC 11.1111
60 4YEE 4CQ 11.1111
61 6F5U CQN 11.8519
62 4OWK NGA 14.0741
63 4DA5 0H7 14.8148
64 4FE2 AIR 14.8148
65 2GQS C2R 15.5556
66 2BCG GER 20
67 1XQP 8HG 20
68 3CF6 SP1 21.4815
69 1EXF GLY 22.963
70 1F9V ADP 23.7037
71 1J78 VDY 23.7037
72 2NSX IFM 25.1852
73 5C9J DAO 28.2828
74 6D5V FVY 33.3333
75 6D5L FW7 33.3333
76 6D5H FV7 33.3333
77 6D5J FV4 33.3333
78 6D5M FW4 33.3333
Pocket No.: 3; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 5hz9.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2AG4 LP3 None
2 2AG4 OLA None
3 4NS0 PIO None
4 5B09 4MX None
5 4XQM MAN 2.12766
6 4WW8 VD9 3.7037
7 3DLG GWE 5.18518
8 2VK2 GZL 5.18518
9 1ZB6 GST 6.66667
10 1ZB6 DIN 6.66667
11 4I9B 1KA 7.40741
12 6AYU MLI 7.40741
13 4ORM ORO 7.40741
14 4ORM FMN 7.40741
15 4ORM 2V6 7.40741
16 1QIN GIP 9.62963
17 5YW0 SIN 9.62963
18 1EWF PC1 9.62963
19 3RUG DB6 11.1111
20 3VQ2 LP4 LP5 MYR DAO 11.1111
21 5IXK 6EW 13.3333
22 5APK 76E 13.3333
23 1YUC EPH 22.2222
24 1ZDU P3A 22.2222
25 5HX1 UMP 24.6377
26 6FA4 D1W 33.3333
Pocket No.: 5; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 5hz9.bio6) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3NGU ADP None
2 3Q8U ADP None
3 2AMT GPP 3.7037
4 3LPF Z77 4.44444
5 1SR7 MOF 9.62963
6 1M13 HYF 11.8519
Pocket No.: 6; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 60
This union binding pocket(no: 6) in the query (biounit: 5hz9.bio3) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 6BWL UDP None
2 2YPI PGA None
3 5WXH ALA ARG THR M3L GLN THR ALA None
4 5MT9 SRO None
5 2PX8 MGT None
6 3QXV MTX None
7 2PEZ GGZ 1.48148
8 2PEZ DAT 1.48148
9 2OFW ADX 2.22222
10 1OAA OAA 2.22222
11 5W71 9YM 2.96296
12 4D7E FAD 3.7037
13 3TMK T5A 3.7037
14 1YP4 ADP 3.7037
15 4X7G 3Y8 4.44444
16 3PE2 E1B 4.44444
17 2WLG SOP 4.44444
18 1MV8 GDX 4.44444
19 5WXU IAC 4.44444
20 3K87 FAD 5.18518
21 5I7A 68Q 5.18518
22 2X1L MET 5.18518
23 4GCZ ADP 5.18518
24 1FKB RAP 5.60748
25 4OOE NDP 5.92593
26 4OOE FOM 5.92593
27 4GID 0GH 5.92593
28 4XDA RIB 5.92593
29 3RHJ NAP 5.92593
30 3FSY SCA 5.92593
31 2J07 HDF 6.66667
32 2J07 FAD 6.66667
33 1KGQ SCO 7.40741
34 1KGQ NPI 7.40741
35 3QDC RET 8.14815
36 4I6G FAD 8.14815
37 1PA9 CSN 8.14815
38 5APG EEM 8.14815
39 2C6Q NDP 8.88889
40 4J7U NAP 8.88889
41 4J7U YTZ 8.88889
42 4X7Y SAH 9.62963
43 5BO9 SIA GAL NGS 9.62963
44 1NP7 FAD 10.3704
45 2GEK GDP 10.3704
46 2QK4 ATP 11.1111
47 1PFY MSP 11.1111
48 3ZF8 GDP 11.1111
49 4NES UDP 11.8519
50 4A59 AMP 11.8519
51 5J5R 6G1 12.5926
52 5J5R IMP 12.5926
53 1Z4O GL1 12.5926
54 4QJK COA 13.1915
55 1T36 ADP 14.0741
56 2J4D FAD 14.0741
57 3GF4 FAD 14.8148
58 6DNT EPZ 16.2963
59 4QJL COA 20.7407
60 1KZN CBN 24.4444
Pocket No.: 7; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 13
This union binding pocket(no: 7) in the query (biounit: 5hz9.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5V3D FCN 1.48148
2 5ML3 DL3 2.22222
3 1LH0 ORO 2.22222
4 3I4X DST 4.44444
5 1AOE GW3 4.44444
6 1AOE NDP 4.44444
7 2JIG PD2 5.18518
8 2FVK DUC 5.18518
9 4H6B 10X 6.66667
10 5YBN AKG 11.8519
11 3X01 AMP 14.8148
12 2XIQ MLC 18.5185
13 5YSQ INS 28.8889
Pocket No.: 8; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 7
This union binding pocket(no: 8) in the query (biounit: 5hz9.bio7) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 3EBL GA4 7.40741
2 3TIK JKF 7.40741
3 2ZSH GA3 8.14815
4 4H07 IPH 9.62963
5 1QNF HDF 11.1111
6 5WL1 CUY 28.2828
7 5WL1 D3D 28.2828
Pocket No.: 9; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 9
This union binding pocket(no: 9) in the query (biounit: 5hz9.bio7) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4AIA ADK None
2 4HMX FMN 2.96296
3 2ET1 GLV 5.18518
4 3FSM 2NC 6.66667
5 3KA2 2NC 6.66667
6 2P3B 3TL 8.08081
7 3QVV 3QV 15.5556
8 4HMT NNV 22.2222
9 4HMT FMN 22.2222
Pocket No.: 10; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 11
This union binding pocket(no: 12) in the query (biounit: 5hz9.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 1NB9 RBF 3.7037
3 1NB9 ADP 3.7037
4 6DEF GCP 5.92593
5 1A59 COA 8.88889
6 4PXL NAD 8.88889
7 5BZ4 COA 11.1111
8 5TUF TDC 11.8519
9 5TUF FAD 11.8519
10 4AAW R84 11.8519
11 4ZRN UPG 28.8889
Pocket No.: 13; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 11
This union binding pocket(no: 13) in the query (biounit: 5hz9.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1GET NAP 4.44444
2 5MWY YNU 4.44444
3 5E65 5N6 GAL 6.66667
4 2YP9 SIA CMO 6.66667
5 5BXA MAN 6.66667
6 3K4Z CBI 6.66667
7 5E62 Z3Q GAL 5N6 6.66667
8 1XK5 TPG 6.66667
9 2QL9 CIT 7.40741
10 3OG9 MLT 8.88889
11 3O2K DST 8.88889
Pocket No.: 14; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 13
This union binding pocket(no: 14) in the query (biounit: 5hz9.bio8) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6MPT C30 3.7037
2 2NW9 FT6 4.44444
3 3OLL EST 4.44444
4 2WM1 13P 5.18518
5 5AIG VPR 6.4
6 5WKR NAR 7.40741
7 5G5W R8C 8.14815
8 4OMJ 2TX 11.8519
9 3V0H I3P 12.5926
10 1II7 DA 13.3333
11 4MNS 2AX 13.3333
12 5E2N V14 17.037
13 2PSJ CEI 22.963
Pocket No.: 15; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 35
This union binding pocket(no: 15) in the query (biounit: 5hz9.bio8) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2V1O COA None
2 1CTU ZEB None
3 2C9E PID None
4 3F4F UMP None
5 1X0P FAD None
6 5ZCT ANP 2.22222
7 5EWK P34 2.22222
8 3NKS FAD 2.22222
9 5K2M ADP 2.96296
10 1A8R GTP 3.7037
11 3KF3 FRU 3.7037
12 6AP6 TLF 4.44444
13 1I7L ATP 4.44444
14 1C1X HFA 5.18518
15 1BW9 PPY 5.18518
16 1PK8 ATP 5.18518
17 5IM3 DTP 5.92593
18 5A65 TPP 5.92593
19 4S3R 7SA 6.66667
20 5HJM MTA 7.40741
21 1N9G NAP 7.40741
22 5G5G MCN 7.40741
23 1XMY ROL 8.88889
24 3VPB ADP 9.62963
25 3VPC ADP 9.62963
26 4WW7 AMP 10.3704
27 1YRX FMN 10.7438
28 6BE3 NAG 11.1111
29 4Q5H ANP 12.5926
30 1P1C SAH 14.8148
31 4N8I COA 17.037
32 2DYS PGV 22.0339
33 2DYR PGV 22.0339
34 5Z84 PGV 22.0339
35 5ZCO PGV 22.0339
Pocket No.: 16; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 35
This union binding pocket(no: 16) in the query (biounit: 5hz9.bio5) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5UFS 1TA None
2 1G2N EPH None
3 3N7S 3N7 None
4 2ZPT A3P 1.48148
5 2QZO KN1 2.22222
6 4MGB XDH 2.96296
7 3FU7 KIA 2.96296
8 4TUZ 36J 2.96296
9 1HG4 LPP 3.7037
10 5GQX GLC GLC GLC GLC 3.7037
11 5XWV 8H6 3.7037
12 1ZDT PEF 4.44444
13 5L7G 6QE 4.44444
14 2I0G I0G 4.44444
15 1BZL GCG 4.44444
16 1L0I PSR 5.12821
17 3KDM TES 5.18518
18 2A3I C0R 5.92593
19 5HCV 60R 5.92593
20 2HZL PYR 5.92593
21 1GVE CIT 5.92593
22 1T0S BML 6.66667
23 2VCN ISZ 6.66667
24 3OPT AKG 6.66667
25 5W3Y IHP 7.40741
26 1M2Z DEX 8.14815
27 2AX9 BHM 8.14815
28 5JBX MLI 9.62963
29 5FPN KYD 10.3704
30 1YMT DR9 11.1111
31 4N14 WR7 13.3333
32 4LSJ LSJ 21.4815
33 5NW7 9C2 22.963
34 1RDT L79 37.037
35 3H0A 9RA 37.7778
Pocket No.: 17; Query (leader) PDB : 5HZ9; Ligand: 5M8; Similar sites found with APoc: 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 Sequence Similarity
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