-->
Receptor
PDB id Resolution Class Description Source Keywords
3EM0 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF ZEBRAFISH ILEAL BILE ACID-BINDIN PROTEI COMPLEXED WITH CHOLIC ACID (CRYSTAL FORM B). DANIO RERIO ILEAL BILE ACID-BINDING PROTEIN ZEBRAFISH (DANIO RERIO) CHACID LIPID-BINDING TRANSPORT LIPID BINDING PROTEIN
Ref.: THE X-RAY STRUCTURE OF ZEBRAFISH (DANIO RERIO) ILEA ACID-BINDING PROTEIN REVEALS THE PRESENCE OF BINDIN ON THE SURFACE OF THE PROTEIN MOLECULE. J.MOL.BIOL. V. 385 99 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHD A:150;
A:151;
A:152;
A:153;
B:150;
B:151;
B:152;
B:153;
B:500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EM0 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF ZEBRAFISH ILEAL BILE ACID-BINDIN PROTEI COMPLEXED WITH CHOLIC ACID (CRYSTAL FORM B). DANIO RERIO ILEAL BILE ACID-BINDING PROTEIN ZEBRAFISH (DANIO RERIO) CHACID LIPID-BINDING TRANSPORT LIPID BINDING PROTEIN
Ref.: THE X-RAY STRUCTURE OF ZEBRAFISH (DANIO RERIO) ILEA ACID-BINDING PROTEIN REVEALS THE PRESENCE OF BINDIN ON THE SURFACE OF THE PROTEIN MOLECULE. J.MOL.BIOL. V. 385 99 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
2 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
2 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
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: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 133
This union binding pocket(no: 1) in the query (biounit: 3em0.bio2) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5D3X 4IP None
2 4YEE 4CQ None
3 1Y7P RIP None
4 3ZO7 K6H None
5 4CQK PIO None
6 5NCF 8T5 None
7 5Z46 8XL None
8 1R6N 434 2.17391
9 5KJW 53C 2.17391
10 4YRI 4JH 2.17391
11 5C1M OLC 2.89855
12 1I7M PUT 2.89855
13 1GT4 UNA 2.89855
14 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.89855
15 4HY1 19X 2.89855
16 3SK2 GRI 3.0303
17 3RV5 DXC 3.37079
18 5F6U 5VK 3.62319
19 1UMZ BGC BGC XYS BGC XYS GAL 3.62319
20 4ZSI 4R1 3.62319
21 4ZSI GLP 3.62319
22 1YRO UDP 3.62319
23 5XJD 87L 3.62319
24 1A05 IPM 3.62319
25 3E7S AT2 3.62319
26 4J25 OGA 3.62319
27 3ACL 3F1 3.62319
28 3NJQ NJQ 3.62319
29 1FAO 4IP 3.96825
30 2GTF P1R 4.34783
31 4NFE BEN 4.34783
32 5O0J 8BR 4.34783
33 3NZ1 3NY 4.34783
34 2OZ5 7XY 4.34783
35 5VAD PRO 4.34783
36 5H2U 1N1 4.34783
37 5H5A 6OU 4.34783
38 5AMH EF2 4.8
39 5W7B MYR 5.07246
40 4U0W 16G 5.07246
41 2Z3U CRR 5.07246
42 6E08 NAP 5.07246
43 3RGA LSB 5.07246
44 5J75 6GQ 5.30303
45 1OW4 2AN 5.42636
46 5Y02 MXN 5.60748
47 4K55 H6P 5.64516
48 4XMF HSM 5.7971
49 4L4J NAG NAG BMA MAN NAG 5.7971
50 4O4Z N2O 5.7971
51 4YSX E23 5.7971
52 4GQP B40 5.7971
53 6FA4 D1W 5.7971
54 5OCG 9R5 5.7971
55 5C9J DAO 6.06061
56 2HKA C3S 6.15385
57 2PNC CLU 6.52174
58 1F9V ADP 6.52174
59 1OFL NGK GCD 6.52174
60 4S00 AKR 6.52174
61 5LHT TIH 6.52174
62 3ZJX BOG 6.52174
63 4KBA 1QM 6.52174
64 4HWT 1B2 6.52174
65 1DTL BEP 6.52174
66 3THR C2F 6.52174
67 5E58 CPZ 6.52174
68 2VWA PTY 6.93069
69 4F06 PHB 7.24638
70 4Q0A 4OA 7.24638
71 4LH7 NMN 7.24638
72 1SDW IYT 7.24638
73 5FUI APY 7.57576
74 4RJD TFP 7.57576
75 5XNA SHV 7.97101
76 5E70 RCD 7.97101
77 5J32 IPM 7.97101
78 2BCG GER 7.97101
79 4AZC NGW 7.97101
80 4HN1 TYD 8.45771
81 3NX2 FER 8.69565
82 3JQ3 ADP 8.69565
83 6BVI EC4 8.69565
84 1OGX EQU 9.16031
85 5GQX GLC GLC GLC 9.42029
86 4TVD BGC 9.42029
87 5IHE D5M 9.42029
88 5MRH Q9Z 9.42029
89 5T46 MGP 9.42029
90 5EZU MYR 10.1124
91 1RYD GLC 10.1449
92 4WOE ADP 10.1449
93 3O01 DXC 10.1449
94 3JU6 ANP 10.1449
95 5DYO FLU 10.1449
96 4GGL CJC 10.1449
97 5G48 1FL 10.8696
98 1LVG 5GP 10.8696
99 3KJQ B94 10.8696
100 3VMG 9CA 10.8696
101 2VDF OCT 11.5942
102 4WGF HX2 11.5942
103 4ZU4 4TG 11.5942
104 3CBC DBS 12.3188
105 3TTZ 07N 12.3188
106 6GNO XDI 12.5926
107 2GWH PCI 13.0435
108 4RF7 ARG 13.0435
109 2ALG DAO 13.0435
110 3QSB 743 13.7681
111 6DW2 HD4 13.7681
112 2YKL NLD 14.4928
113 3QP8 HL0 14.4928
114 4WTR BGC BGC 14.4928
115 1CEB AMH 14.7727
116 2G30 ALA ALA PHE 15.2174
117 5H9P TD2 15.2174
118 5YJS SAL 15.942
119 1O6U PLM 16.6667
120 1AQU EST 16.6667
121 5LY1 PPI 17.3913
122 5KR7 6X9 18.1159
123 5Z84 CHD 18.8235
124 5ZCO CHD 18.8235
125 5W97 CHD 18.8235
126 4OGQ 7PH 18.8406
127 5SYM 71Q 19.5652
128 4XPQ FUL 20.2899
129 4N7C AEF 22.4638
130 6A46 DCM 23.1884
131 4LIT AKG 23.913
132 2H6T IVA VAL VAL STA ALA STA 31.8841
133 4ZTD ALA GLY ALA GLY ALA 33.3333
Pocket No.: 2; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 74
This union binding pocket(no: 2) in the query (biounit: 3em0.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1MFI FHC None
2 4KYK IMN None
3 3QXV MTX None
4 1L5Y BEF None
5 1F5F DHT 1.44928
6 1KDK DHT 1.44928
7 3KYG 5GP 5GP 2.17391
8 2RDE C2E 2.17391
9 3DZ6 PUT 2.89855
10 1ZNY GDP 2.89855
11 5H9Y BGC BGC BGC BGC 2.89855
12 1U6R ADP 2.89855
13 1K0E TRP 2.89855
14 5TV6 PML 3.62319
15 5VNF VAL THR SER VAL VAL 3.62319
16 2Z5Y HRM 3.62319
17 6D6L FY4 3.62319
18 4NG2 OHN 3.62319
19 3E70 GDP 4.34783
20 3H0L ADP 4.34783
21 6GVZ CHO 4.34783
22 1A0T SUC 4.34783
23 5T8U LPA 4.34783
24 4UCC ZKW 4.34783
25 4PEG 5GP 4.34783
26 5KY9 GDP 4.34783
27 1ZOY UQ1 5.07246
28 5I8T LAC 5.07246
29 5KWY C3S 5.26316
30 2FKA BEF 5.42636
31 4RYV ZEA 5.7971
32 4FK7 P34 5.7971
33 1QD1 FON 5.7971
34 5XLY C2E 5.7971
35 1QGQ UDP 5.7971
36 4YZ5 SLT 5.7971
37 2GQS C2R 5.7971
38 5Y4R C2E 5.7971
39 4RT1 C2E 6.25
40 1GZF NIR 6.52174
41 4BG4 ADP 6.52174
42 4YEF 4CQ 6.74157
43 3GD9 GLC BGC BGC BGC 7.24638
44 3T4L ZEA 7.24638
45 3ZGJ RMN 7.24638
46 3KYF 5GP 5GP 7.24638
47 5HWV MBN 7.69231
48 4P8O 883 7.97101
49 5KEW 6SB 7.97101
50 4UCF GLA 7.97101
51 6CC0 EWM 7.97101
52 5D9G GLU ASN LEU TYR PHE GLN 7.97101
53 5EJL C2E 7.97101
54 5WL1 D3D 7.97101
55 1RJW ETF 8.69565
56 4RD0 GDP 8.69565
57 1VRP ADP 8.69565
58 1ZL9 GSH 8.69565
59 6CB2 OLC 8.69565
60 4MOB ADP 9.42029
61 5V4R MGT 9.42029
62 3B6R ADP 9.42029
63 1DKU AP2 9.42029
64 1I1E DM2 10.1449
65 1KGI T4A 10.2362
66 5LX9 OLB 10.8696
67 5L2R MLA 10.8696
68 4IAW LIZ 12.3188
69 1V84 UDP 13.0435
70 1XL8 152 13.7681
71 3IWD M2T 14.5161
72 3VKX T3 15.942
73 4LOO SB4 15.942
74 1RZX ACE VAL LYS GLU SER LEU VAL 19.3878
Pocket No.: 3; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 3em0.bio2) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1M2Z BOG 2.17391
2 4LSJ LSJ 2.17391
3 1FX8 BOG 3.62319
4 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.34783
5 5CHR 4NC 4.37956
6 2PSJ CEI 5.07246
7 4TV1 36M 5.07246
8 5YW5 ADE 5.07246
9 4MGD 27N 5.07246
10 5HYR EST 5.07246
11 3TDC 0EU 5.7971
12 5T85 44G 5.7971
13 3N75 G4P 5.7971
14 5TZO 7V7 5.7971
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.52174
16 5V1B 8UY 6.52174
17 6BR9 6OU 6.52174
18 3FAL REA 6.52174
19 5BV3 M7G 7.24638
20 2WDA L42 7.97101
21 2GC0 PAN 8.69565
22 5XEG AKG 9.42029
23 1U3D ANP 13.0435
24 5XIO HFG 13.0435
25 2R40 EPH 13.0435
26 3G58 988 13.7681
27 2TPI ILE VAL 15.2174
28 4O1F THG 17.3913
Pocket No.: 4; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 3em0.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 5LDQ NAP 2.17391
2 5EO8 TFU 5.07246
3 2VQ5 HBA 10.8696
4 4AVV CD 12.3188
Pocket No.: 5; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 49
This union binding pocket(no: 5) in the query (biounit: 3em0.bio2) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 5WHT SIA GAL GLC None
2 4IEN GDP None
3 4RHS SIA SIA GAL None
4 5WHT SIA None
5 5WHT SIA GAL None
6 1TT8 PHB None
7 5HP8 PYR None
8 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU None
9 2OJW ADP 1.44928
10 1ELI PYC 2.17391
11 3GD8 GOL 2.17391
12 4C2C ALA ALA ALA 2.17391
13 5LFV SIA GAL NAG 2.89855
14 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 2.89855
15 5HA0 LTD 2.89855
16 5DQ8 FLF 2.89855
17 3VV1 GAL FUC 3.62319
18 2AZ5 307 3.62319
19 1S4M LUM 3.62319
20 4LO6 SIA GAL 4.34783
21 4DS0 A2G GAL NAG FUC 4.34783
22 3UEC ALA ARG TPO LYS 4.34783
23 2BVE PH5 5.04202
24 1QKQ MAN 5.07246
25 4ONT SIA GAL BGC 5.07246
26 4B0T ADP 5.07246
27 5B09 4MX 5.76923
28 5LUN OGA 5.7971
29 3A16 PXO 5.7971
30 3I7V B4P 5.97015
31 4XJ2 FMN 6.52174
32 1PVC ILE SER GLU VAL 7.97101
33 2WDQ CBE 7.97101
34 5TVF CGQ 7.97101
35 2IXC TRH 7.97101
36 2WEI VGG 7.97101
37 1XPJ TLA 8.73016
38 3TW1 AHN 9.42029
39 1E4E PHY 9.42029
40 1BC5 ACE ASN TRP GLU THR PHE 10.1449
41 2IU8 PLM 10.1449
42 4PYW ACE THR THR ALA ILE NH2 10.8696
43 5LRT ADP 10.8696
44 3NKS ACJ 12.3188
45 5VKM GAL SIA 13.0435
46 3WFD AXO 13.7681
47 5FPE 3TR 15.942
48 3HRD NIO 17.3913
49 5JJU AMP 22.4638
Pocket No.: 6; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 42
This union binding pocket(no: 6) in the query (biounit: 3em0.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4HPP GLU None
2 6CLV 6MB None
3 1IA9 ANP None
4 5N8V KZZ None
5 1GEG GLC 1.44928
6 4NS0 PIO 2.25564
7 3QRC SCR 2.89855
8 4MPO AMP 2.89855
9 4UOZ GLA 2.89855
10 4ZH7 FUC GAL NAG GAL FUC 3.62319
11 1GYM MYG 4.34783
12 4KCT PYR 4.34783
13 2BMB PMM 4.34783
14 2XG5 EC5 5.07246
15 2XG5 EC2 5.07246
16 6EWZ APC 5.07246
17 1JJE BYS 5.07246
18 1KWK GAL 5.7971
19 4UEC MGT 5.7971
20 3JZ0 CLY 5.7971
21 3MYZ TFX 6
22 2AGC DAO 6.52174
23 1W96 S1A 6.52174
24 5DXT 5H5 6.52174
25 2W92 NGT 7.24638
26 2FUE M1P 7.97101
27 1Y9Q MED 9.375
28 4S1D 41M 9.42029
29 2CDO GAL AAL GAL AAL GAL AAL 10.1449
30 1IGW PYR 10.1449
31 4L4V 1VY 10.1449
32 4NPL AKG 10.8696
33 5LWY OLB 10.8696
34 2OVD DAO 11.5942
35 3ZF8 GDP 12.3188
36 4FFG 0U8 13.0435
37 1OF4 BMA BMA BMA BMA BMA 13.7681
38 4V3I ASP LEU THR ARG PRO 14.4928
39 4ZU5 THM 14.4928
40 1YKD CMP 15.2174
41 5OM2 DXT 17.5
42 5O9W AKG 18.8406
Pocket No.: 7; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 3em0.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4GLW NMN 5.07246
2 5ZZA LAB 5.07246
3 6BR8 6OU 6.52174
4 2Z77 HE7 7.24638
5 1J3R 6PG 8.69565
6 4NPT 017 9.09091
7 1JQY A32 12.6214
Pocket No.: 8; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: 17
This union binding pocket(no: 8) in the query (biounit: 3em0.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 2GGX NPJ 2.89855
2 5OF1 SAL 3.62319
3 1QY1 PRZ 3.62319
4 3GXO MQA 4.34783
5 4NOS ITU 4.34783
6 1OH2 SUC 4.34783
7 5VM6 9EG 5.10949
8 5XQW 8EU 5.7971
9 3AJH BL3 5.7971
10 4USF 6UI 5.7971
11 4P7X YCP 6.52174
12 4P7X AKG 6.52174
13 2QX0 PH2 7.97101
14 6E1Q CFA 8.69565
15 4FXQ G9L 8.69565
16 1DZK PRZ 10.1449
17 4H6B 10X 18.1159
Pocket No.: 9; Query (leader) PDB : 3EM0; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3em0.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback