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Receptor
PDB id Resolution Class Description Source Keywords
5EX5 1.9 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 ATPASE DOMAIN IN COMPLEX WITH 7-DEAZA-ADP AND INORGANIC PHO HOMO SAPIENS CHAPERONE ATPASE DOMAIN NUCLEOTIDE-BINDING ENDOPLASMIC RE
Ref.: PROBING THE ATP SITE OF GRP78 WITH NUCLEOTIDE TRIPH ANALOGS. PLOS ONE V. 11 54862 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:502;
B:502;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
7DD A:503;
B:503;
Valid;
Valid;
none;
none;
submit data
426.213 C11 H16 N4 O10 P2 c1cn(...
MG A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EXW 1.9 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 ATPASE DOMAIN IN COMPLEX WITH 7-DEAZA-ATP HOMO SAPIENS CHAPERONE ATPASE DOMAIN NUCLEOTIDE-BINDING ENDOPLASMIC RE
Ref.: PROBING THE ATP SITE OF GRP78 WITH NUCLEOTIDE TRIPH ANALOGS. PLOS ONE V. 11 54862 2016
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 5EY4 Kd = 0.75 mM DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.78 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.052 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.15 uM 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.27 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5EY4 Kd = 0.75 mM DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.78 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.052 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.15 uM 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.27 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 6G3R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
30 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
31 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
36 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
42 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
43 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
46 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
47 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
49 3FE1 - ADP MG n/a n/a
50 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
52 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
53 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
54 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
55 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
56 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
57 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
58 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
59 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
60 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
61 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
62 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
63 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
64 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
65 6EOE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
66 6EOF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5EY4 Kd = 0.75 mM DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.78 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.052 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.15 uM 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.27 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 6G3R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 2V7Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
33 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
37 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
43 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
44 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
47 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
48 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
50 6ASY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
51 3FE1 - ADP MG n/a n/a
52 4GNI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 4JN4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 4JNE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 5OBY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
56 5OBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
57 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
60 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
61 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
62 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
63 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
64 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
65 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
66 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
68 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
69 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
71 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
72 5OBV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 5OBU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
74 6EOE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
75 6EOF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
76 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
77 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7DD; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 7DD 1 1
2 7DT 0.901408 1
3 TBN 0.661765 0.842857
4 ADP 0.578313 0.985714
5 MTH 0.564103 0.77027
6 ATP 0.522727 0.985714
7 HEJ 0.522727 0.985714
8 5FA 0.516854 0.985714
9 AQP 0.516854 0.985714
10 ACQ 0.516484 0.958333
11 A2D 0.505882 0.957747
12 B4P 0.505747 0.957747
13 AP5 0.505747 0.957747
14 AN2 0.5 0.971831
15 6YZ 0.5 0.958333
16 BA3 0.494253 0.957747
17 ACP 0.488889 0.958333
18 AR6 0.483516 0.957747
19 APR 0.483516 0.957747
20 AT4 0.483146 0.945205
21 6AD 0.478723 0.896104
22 SAP 0.478261 0.932432
23 AGS 0.478261 0.932432
24 M33 0.477778 0.944444
25 HFD 0.473118 0.932432
26 GDP 0.468085 0.906667
27 ANP 0.468085 0.958333
28 ADQ 0.464646 0.931507
29 AD9 0.462366 0.958333
30 ITT 0.461538 0.929577
31 A22 0.459184 0.971831
32 25L 0.456311 0.971831
33 AMP 0.453488 0.957143
34 A 0.453488 0.957143
35 T99 0.452632 0.945205
36 TAT 0.452632 0.945205
37 APC 0.451613 0.945205
38 PRX 0.451613 0.88
39 PAP 0.446809 0.971429
40 IDP 0.446809 0.905405
41 ATR 0.446809 0.957143
42 CA0 0.445652 0.931507
43 ADX 0.445652 0.860759
44 ATF 0.443299 0.945205
45 OAD 0.441176 0.931507
46 9X8 0.441176 0.906667
47 50T 0.44086 0.944444
48 2A5 0.43617 0.905405
49 4AD 0.435644 0.906667
50 3OD 0.432692 0.931507
51 8OD 0.427083 0.931507
52 AIR 0.426829 0.887324
53 25A 0.425743 0.957747
54 GTP 0.424242 0.906667
55 ABM 0.422222 0.90411
56 AAM 0.422222 0.957143
57 A1R 0.421569 0.894737
58 A3R 0.421569 0.894737
59 BIS 0.419048 0.92
60 5AL 0.418367 0.917808
61 7D3 0.417582 0.891892
62 00A 0.417476 0.87013
63 MGP 0.414141 0.871795
64 7CH 0.413043 0.9
65 A12 0.413043 0.945205
66 AP2 0.413043 0.945205
67 OOB 0.411765 0.917808
68 5SV 0.411765 0.835443
69 DAT 0.410526 0.891892
70 SRP 0.41 0.893333
71 6G0 0.41 0.871795
72 WAQ 0.409524 0.87013
73 NIA 0.409091 0.810127
74 AMO 0.407767 0.918919
75 GCP 0.405941 0.883117
76 1ZZ 0.40566 0.82716
77 GNH 0.40404 0.894737
78 DLL 0.403846 0.917808
79 AHX 0.403846 0.883117
80 C2R 0.402299 0.890411
81 AMZ 0.402299 0.902778
82 ADV 0.402062 0.918919
83 ADP PO3 0.402062 0.929577
84 RBY 0.402062 0.918919
85 SRA 0.4 0.905405
86 OMR 0.4 0.839506
87 3UK 0.4 0.905405
88 AU1 0.4 0.958333
89 ADP ALF 0.4 0.857143
90 ALF ADP 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EXW; Ligand: 7DT; Similar sites found with APoc: 202
This union binding pocket(no: 1) in the query (biounit: 5exw.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 4WG0 CHD None
3 1MVQ MMA 1.27119
4 5YJS SAL 1.53846
5 4L9Z OXL 1.75
6 2UYT LRH 1.75
7 2UYT ADP 1.75
8 3TAO PGH 1.87266
9 5OSW DIU 2
10 5CQG 55C 2
11 2HI4 BHF 2
12 1U1J MET 2
13 4L80 OXL 2.01149
14 5JIC ADP 2.1978
15 5JIC N7E 2.1978
16 6E1Q CFA 2.25
17 3WXL ADP 2.25
18 5NM7 GLY 2.25
19 4UMJ BFQ 2.36486
20 1II7 DA 2.4024
21 3B8I OXL 2.43902
22 1GVF PGH 2.44755
23 2I4O ATP 2.5
24 2X7I CIT 2.5974
25 3N9R TD3 2.9316
26 2GQR ADP 2.95359
27 4HE2 AMP 2.95858
28 5HV7 RBL 3
29 5A1S FLC 3
30 4TQK NAG 3
31 1SQK ADP 3.25
32 4B1X ATP 3.25
33 4Z94 ATP 3.25
34 4B1V LAB 3.25
35 4B1V ATP 3.25
36 2V51 ATP 3.25
37 4B1X LAB 3.25
38 3TTC ADP 3.25
39 1ESW ACR 3.25
40 2J0W ASP 3.25
41 4RW3 SHV 3.31126
42 4RW3 PLM 3.31126
43 3AAQ ARU 3.39943
44 3I7S PYR 3.42466
45 2YCH ATP 3.44828
46 3SJH ATP 3.46667
47 2FXU ATP 3.46667
48 3SJH LAR 3.46667
49 1KXP ATP 3.46667
50 4H03 ATP 3.46667
51 4H03 LAR 3.46667
52 2EB5 OXL 3.5
53 4A59 AMP 3.5
54 1RM8 BAT 3.5503
55 4NAE 1GP 3.55556
56 1UKG MMA 3.57143
57 2E2P ADP 3.67893
58 3BJE R1P 3.72493
59 2ZGY GDP 3.75
60 1PFK ADP 3.75
61 4PKG ATP 3.76344
62 4JZ8 CIT 3.78549
63 1OGD RIP 3.81679
64 3VV5 SLZ 3.84615
65 5BSH PRO 3.97112
66 3LM9 ADP 3.97351
67 3LM9 FRU 3.97351
68 2FF3 ATP 4
69 2FF6 ATP 4
70 1NAA 6FA 4
71 5CSS G3P 4
72 3GFS FMN 4.02299
73 4MO4 ACP 4.04313
74 4A2A ATP 4.25
75 4A2B AGS 4.25
76 3A1I UNU 4.25
77 1WDI CIT 4.34783
78 1YFS ALA 4.5
79 2XHK AKG 4.5045
80 1OJ4 ANP 4.59364
81 2A40 ATP 4.61538
82 2A3Z ATP 4.61538
83 2A42 ATP 4.61538
84 2UVO NDG 4.67836
85 2OCI TYC 4.72441
86 2AWN ADP 4.72441
87 5M0T AKG 4.7619
88 3CIP ATP 4.8
89 3BF1 ADP 4.81928
90 4BGB ADP 4.92308
91 5YRM BGC GLC 4.92958
92 5YRL GLC GLC 4.92958
93 5H3A UMP 4.947
94 2W41 ADP 5
95 3HQP OXL 5
96 1LSH PLD 5.01567
97 3KIH GDL 5.15464
98 1R4W GSH 5.30973
99 4CQM NAP 5.32787
100 3U4L ATP 5.33333
101 3MN6 ATP 5.34759
102 3MN9 ATP 5.34759
103 5LUN OGA 5.39773
104 2Q1A 2KT 5.46075
105 4PL8 ATP 5.47945
106 5HTX ADP 5.5
107 4PL7 ATP 5.5
108 5L2R MLA 5.5
109 3VET TOY 5.5
110 3VET CP 5.5
111 3VET ADP 5.5
112 3WMX THR 5.58659
113 6DZN AE3 5.6338
114 1W8S FBP 5.70342
115 4AQ4 G3P 5.75
116 5ZZA ATP 5.78512
117 1YAG ATP 5.86667
118 5ZBL AMP 5.91133
119 3A75 GLU 5.94595
120 3VGL ANP 6
121 1M1B SPV 6.1017
122 5HWV MBN 6.15385
123 4B1W ATP 6.25
124 4YDU ADP 6.32911
125 4K55 H6P 6.45161
126 1SW0 PGA 6.45161
127 1VBO MAN 6.71141
128 1VBO MAN MAN MAN 6.71141
129 4IV9 TSR 6.75
130 2DBX GLU 6.8306
131 4C1K PEP 6.87023
132 4EHU ANP 6.88406
133 3FXU TSU 6.88525
134 2Q97 ATP 6.97674
135 1T0S BML 6.97674
136 1KC7 PPR 7
137 4CBU ATP 7.08661
138 2QV7 ADP 7.12166
139 2G2Y MLI 7.14286
140 2ZUX RAM 7.25
141 1CY2 TMP 7.25
142 1TUU AMP 7.26817
143 1TUU PIS 7.26817
144 1TUU ADP 7.26817
145 5TQZ GLC 7.33333
146 1GXS BEZ 7.40741
147 1GXS DKA 7.40741
148 5EOU ATP 7.52688
149 5AJU RP5 7.66423
150 5W8X UDP 7.8534
151 3MAN BMA BMA MAN 7.94702
152 4UP5 94W 8.08081
153 3MN7 ATP 8.16327
154 4FE2 ADP 8.23529
155 5LWY OLA 8.40336
156 1ONX ASP 8.71795
157 3GUZ PAF 9.09091
158 1FDJ 13P 9.09091
159 5XJD 87L 9.09091
160 1SAZ ACP 9.18635
161 3WQT ANP 9.25
162 3KJQ B94 9.47368
163 3KO0 TFP 9.90099
164 4PKI ATP 10.1852
165 3U9Z ADP 10.3448
166 1J1R ADE 10.3448
167 3KIF GDL 10.3774
168 2HYQ MAN MAN 10.6557
169 2PAV ATP 10.7914
170 2PBD ATP 10.7914
171 2CUN 3PG 11.25
172 4CBX ATP 11.3757
173 4PTZ FMN 11.5183
174 4BR5 ANP 11.75
175 6B3V ANP 12.1053
176 6B3V 7DQ 12.1053
177 4ZLU 4PW 13
178 4ZLU ADP 13
179 2IVN ANP 13.0303
180 1YRO UDP 13.2867
181 1I3U RR1 13.3858
182 1B4B ARG 14.0845
183 5LJW ANP 14.121
184 2WQ4 SFU 16.0256
185 5ZZB ATP 16.1765
186 2FLI DX5 18.1818
187 2ZFZ ARG 18.9873
188 4CZG ADP 19.2529
189 4CZG QH3 19.2529
190 5YEE ATP 19.8529
191 5YEE LAB 19.8529
192 5C2N NAG 20.8333
193 4EFH ADP 21.2121
194 2D0O ADP 21.75
195 5YPU ATP 22.7273
196 1QKQ MAN 24.6479
197 3MN5 ATP 34.2105
198 3MN5 LAB 34.2105
199 2D1K ATP 34.375
200 4A62 ANP 35.2941
201 5NNT DPV 40.5405
202 5LY3 ADP 43.75
Pocket No.: 2; Query (leader) PDB : 5EXW; Ligand: 7DT; Similar sites found with APoc: 80
This union binding pocket(no: 2) in the query (biounit: 5exw.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6CB2 OLC 1.36519
2 1NF8 BOG 1.93237
3 1G51 AMP 2
4 3I9U DTU 2.28137
5 5V3Y 5V8 2.44755
6 4OEV OXL 2.5
7 1T9D P22 2.5
8 4URN NOV 2.66667
9 3X01 AMP 2.75
10 3NB0 G6P 2.75
11 2BCG GER 2.91262
12 1UA4 BGC 3
13 1UA4 GLC 3
14 6GH9 MIX 3.0137
15 2BHW NEX 3.01724
16 2BHW XAT 3.01724
17 4AF5 CIT 3.15789
18 1SQK LAR 3.25
19 1NXJ TLA 3.27869
20 4Z7X 3CX 3.36134
21 4XFR CIT 3.5
22 4G86 BNT 3.52113
23 1Q8P MAN MMA 3.57143
24 2AUY NAG MAN MMA 3.57143
25 2GND MAN MMA 3.57143
26 2GN3 MAN 3.57143
27 2PHF MAN MAN 3.57143
28 2AR6 NAG MAN MAN MAN NAG 3.57143
29 2GND MAN 3.57143
30 1Q8Q MAN MMA 3.57143
31 1Q8S MAN MMA 3.57143
32 2PHF MAN MAN BMA MAN 3.57143
33 5XNA SHV 3.62319
34 3C8F MT2 3.67347
35 3AQT RCO 3.67347
36 4BIX ADP 3.69128
37 3LA3 2FT 3.7037
38 4RF7 ARG 3.75
39 1VAY AZA 3.83275
40 1Q9I FAD 3.85289
41 1Q9I TEO 3.85289
42 1NAA ABL 4
43 1L7N AF3 4.2654
44 2GJ5 VD3 4.32099
45 6FOG OXL 4.5
46 2UZH IPE 4.84848
47 2YVK MRU 5.08021
48 5M8T 0TR 5.25
49 2Q8M AMP 5.42169
50 4JEJ 1GP 5.7377
51 5ZZA LAB 5.78512
52 4HBM 0Y7 5.83333
53 5X3R 7Y3 5.85366
54 3CB2 GDP 6
55 2WOR 2AN 6
56 3G6N MET ALA SER 6.28272
57 2NV2 GLN 6.37255
58 4OGQ 7PH 6.875
59 2HHP FLC 7.25
60 4OAS 2SW 7.29167
61 1RL4 BL5 7.44681
62 2JHP GUN 7.5
63 4YJ1 ADP 7.5
64 1VL1 CIT 7.75862
65 1RV1 IMZ 8.23529
66 5LWY OLB 8.40336
67 3W68 PBU 8.64662
68 1UW1 ADP 8.75
69 3RV5 DXC 8.98876
70 5ZI9 FLC 9.23077
71 5ODQ 9SB 9.28571
72 4LWU 20U 9.41177
73 1TL2 NDG 10.1695
74 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 12.585
75 5LX9 OLB 12.6761
76 4F4S EFO 13.1579
77 5ZCO CHD 16.4706
78 4EKQ NPO 16.5775
79 3BPX SAL 16.8919
80 4V1F BQ1 19.7674
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