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Receptor
PDB id Resolution Class Description Source Keywords
5EVZ 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 ATPASE DOMAIN IN COMPLEX WITH ADP AND INORGANIC PHOSPHATE 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;
A501:0;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
ADP A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 0.27 uM
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:501;
B:502;
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: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
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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