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Receptor
PDB id Resolution Class Description Source Keywords
1KAX 1.7 Å EC: 3.6.1.3 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71M MUTANT BOS TAURUS ATP-BINDING HEAT SHOCK HYDROLASE
Ref.: LYSINE 71 OF THE CHAPERONE PROTEIN HSC70 IS ESSENTIAL FOR ATP HYDROLYSIS. J.BIOL.CHEM. V. 271 15874 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:486;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CL A:451;
A:455;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
K A:490;
A:491;
A:492;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
MG A:487;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BUP 1.7 Å EC: 3.6.1.3 T13G MUTANT OF THE ATPASE FRAGMENT OF BOVINE HSC70 BOS TAURUS MOLECULAR CHAPERONE ATPASE HYDROLASE (ACTING ON ACID ANHYDCHAPERONE
Ref.: THE HYDROXYL OF THREONINE 13 OF THE BOVINE 70-KDA H SHOCK COGNATE PROTEIN IS ESSENTIAL FOR TRANSDUCING ATP-INDUCED CONFORMATIONAL CHANGE. BIOCHEMISTRY V. 37 15392 1998
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1NGB - 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: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BUP; Ligand: ADP; Similar sites found with APoc: 172
This union binding pocket(no: 1) in the query (biounit: 2bup.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1TUU AMP 1.5748
3 2BKX F6R 1.65289
4 1DL7 NCH 1.78571
5 3IWK NAD 1.83727
6 5C9P FUC 1.83727
7 3AAQ ARU 1.983
8 3WSG CIT 1.98413
9 4HA6 FAD 2.09974
10 4CP8 MLI 2.09974
11 5EB4 FAD 2.09974
12 6F5W KG1 2.16802
13 1BW9 NAD 2.24719
14 4BR5 ANP 2.3622
15 4XFR CIT 2.3622
16 2W41 ADP 2.3622
17 1GVF PGH 2.44755
18 1FDJ 13P 2.47934
19 5JIC N7E 2.5641
20 5JIC ADP 2.5641
21 5IJJ I6P 2.60417
22 2EB5 OXL 2.62172
23 5HTX ADP 2.62467
24 3TTC ADP 2.62467
25 2R4J FAD 2.62467
26 2R4J 13P 2.62467
27 4RW3 SHV 2.64901
28 4RW3 PLM 2.64901
29 2QV7 ADP 2.67062
30 3AQT RCO 2.85714
31 2VAR AMP 2.8754
32 5OSW DIU 2.88714
33 6EGU 43Y 2.88714
34 4MO4 ACP 2.96496
35 3LM9 ADP 2.98013
36 1SAZ ACP 3.14961
37 2UYT ADP 3.14961
38 2UYT LRH 3.14961
39 1WDI CIT 3.18841
40 5EOU ATP 3.22581
41 4ZLU 4PW 3.41207
42 4ZLU ADP 3.41207
43 5KJW 53C 3.41207
44 3VGL ANP 3.42679
45 1V6A TRE 3.61446
46 6BVE PGA 3.67347
47 4A2A ATP 3.67454
48 4A2B AGS 3.67454
49 4A59 AMP 3.67454
50 1NAA 6FA 3.67454
51 1NAA ABL 3.67454
52 1ZGS XMM 3.67454
53 2E2P ADP 3.67893
54 1A5Z FBP 3.76176
55 1L7N ALF 3.79147
56 3VET TOY 3.93701
57 3VET CP 3.93701
58 3VET ADP 3.93701
59 2CUN 3PG 3.93701
60 3RC3 ANP 3.93701
61 5OC1 FAD 4.19948
62 3KJS NAP 4.19948
63 4YDU ADP 4.21941
64 6B3V 7DQ 4.47368
65 6B3V ANP 4.47368
66 5XJD 87L 4.54545
67 3N9R TD3 4.56026
68 5YSI NCA 4.60526
69 6FA4 D1W 4.62428
70 2RI1 GLP 4.68085
71 3KIF GDL 4.71698
72 4OEV OXL 4.72441
73 1UKG MMA 4.98688
74 2PHU MAN MAN 4.98688
75 1PFK ADP 5
76 5XNA SHV 5.07246
77 3GFS FMN 5.17241
78 5ZI9 FLC 5.38462
79 1YP1 LYS ASN LEU 5.44554
80 5AJU RP5 5.47445
81 1I9Z 2IP 5.4755
82 3WQT ANP 5.51181
83 2I4O ATP 5.51181
84 2HYQ MAN MAN 5.7377
85 4BGB ADP 5.84615
86 3HQP OXL 6.03675
87 4UP5 94W 6.06061
88 1SQK ADP 6.36605
89 4PKG ATP 6.36605
90 4Z94 ATP 6.36605
91 5YEE ATP 6.36605
92 2V51 ATP 6.36605
93 5YEE LAB 6.36605
94 4B1V ATP 6.38298
95 4B1V LAB 6.38298
96 4B1W ATP 6.38298
97 4B1X ATP 6.38298
98 3SJH ATP 6.4
99 4PL8 ATP 6.4
100 2FXU ATP 6.4
101 1KXP ATP 6.4
102 3SJH LAR 6.4
103 4H03 ATP 6.4
104 4H03 LAR 6.4
105 3BF1 ADP 6.4257
106 4L9Z OXL 6.48968
107 5YPU ATP 6.52174
108 2A42 ATP 6.53846
109 2A40 ATP 6.53846
110 2A3Z ATP 6.53846
111 2D1K ATP 6.53846
112 2ZUX RAM 6.56168
113 6FOG OXL 6.69643
114 4EHU ANP 6.88406
115 2WQ4 SFU 7.05128
116 1NXJ TLA 7.10383
117 5ZBL AMP 7.38916
118 6FBA D48 7.44986
119 3MN6 ATP 7.48663
120 3MN9 ATP 7.48663
121 3U4L ATP 7.85714
122 2D0O ADP 7.87402
123 4PL7 ATP 7.87402
124 2PAV ATP 7.91367
125 3GUZ PAF 7.95455
126 1TL2 NDG 8.05085
127 1VBO MAN 8.05369
128 1VBO MAN MAN MAN 8.05369
129 2Q97 ATP 8.52713
130 5M45 AMP 8.92857
131 1XXA ARG 8.97436
132 3MN7 ATP 9.18367
133 2FF6 ATP 9.33333
134 2FF3 ATP 9.33333
135 4A62 ANP 9.375
136 2ZGY GDP 9.375
137 4DHY GLC 9.44882
138 1LOB MMA 9.61539
139 3ZZH ARG 9.77199
140 3KO0 TFP 9.90099
141 2IVN ANP 10
142 3RV5 DXC 10.1124
143 4PKI ATP 10.1852
144 5LX9 OLB 10.5634
145 3CIP ATP 10.9375
146 4CBX ATP 11.0236
147 4CBU ATP 11.0236
148 5ZZB ATP 11.0294
149 5ZZB LAB 11.0294
150 1YAG ATP 11.2
151 2YCH ATP 11.6711
152 5WS9 OXL 11.811
153 5G6U YJM 11.8774
154 3IT6 ORN 12.0603
155 3U9Z ADP 12.069
156 4EFH ADP 12.1212
157 5NM7 GLY 12.406
158 5LJW ANP 13.8329
159 5LY3 ADP 13.9108
160 5C2N NAG 14.5833
161 5ZZA ATP 15.7025
162 5ZZA LAB 15.7025
163 1T0S BML 16.2791
164 5Z84 CHD 16.3265
165 3K56 IS3 18.797
166 2ZFZ ARG 18.9873
167 1SQL GUN 19.863
168 2PBD ATP 20.9302
169 3MN5 ATP 21.0526
170 3MN5 LAB 21.0526
171 4CZG ADP 31.3218
172 4CZG QH3 31.3218
Pocket No.: 2; Query (leader) PDB : 2BUP; Ligand: ATP; Similar sites found with APoc: 172
This union binding pocket(no: 2) in the query (biounit: 2bup.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1TUU AMP 1.5748
3 2BKX F6R 1.65289
4 1DL7 NCH 1.78571
5 3IWK NAD 1.83727
6 5C9P FUC 1.83727
7 3AAQ ARU 1.983
8 3WSG CIT 1.98413
9 4HA6 FAD 2.09974
10 4CP8 MLI 2.09974
11 5EB4 FAD 2.09974
12 6F5W KG1 2.16802
13 1BW9 NAD 2.24719
14 4BR5 ANP 2.3622
15 4XFR CIT 2.3622
16 2W41 ADP 2.3622
17 1GVF PGH 2.44755
18 1FDJ 13P 2.47934
19 5JIC N7E 2.5641
20 5JIC ADP 2.5641
21 5IJJ I6P 2.60417
22 2EB5 OXL 2.62172
23 5HTX ADP 2.62467
24 3TTC ADP 2.62467
25 2R4J FAD 2.62467
26 2R4J 13P 2.62467
27 4RW3 SHV 2.64901
28 4RW3 PLM 2.64901
29 2QV7 ADP 2.67062
30 3AQT RCO 2.85714
31 2VAR AMP 2.8754
32 5OSW DIU 2.88714
33 6EGU 43Y 2.88714
34 4MO4 ACP 2.96496
35 3LM9 ADP 2.98013
36 1SAZ ACP 3.14961
37 2UYT ADP 3.14961
38 2UYT LRH 3.14961
39 1WDI CIT 3.18841
40 5EOU ATP 3.22581
41 4ZLU 4PW 3.41207
42 4ZLU ADP 3.41207
43 5KJW 53C 3.41207
44 3VGL ANP 3.42679
45 1V6A TRE 3.61446
46 6BVE PGA 3.67347
47 4A2A ATP 3.67454
48 4A2B AGS 3.67454
49 4A59 AMP 3.67454
50 1NAA 6FA 3.67454
51 1NAA ABL 3.67454
52 1ZGS XMM 3.67454
53 2E2P ADP 3.67893
54 1A5Z FBP 3.76176
55 1L7N ALF 3.79147
56 3VET TOY 3.93701
57 3VET CP 3.93701
58 3VET ADP 3.93701
59 2CUN 3PG 3.93701
60 3RC3 ANP 3.93701
61 5OC1 FAD 4.19948
62 3KJS NAP 4.19948
63 4YDU ADP 4.21941
64 6B3V 7DQ 4.47368
65 6B3V ANP 4.47368
66 5XJD 87L 4.54545
67 3N9R TD3 4.56026
68 5YSI NCA 4.60526
69 6FA4 D1W 4.62428
70 2RI1 GLP 4.68085
71 3KIF GDL 4.71698
72 4OEV OXL 4.72441
73 1UKG MMA 4.98688
74 2PHU MAN MAN 4.98688
75 1PFK ADP 5
76 5XNA SHV 5.07246
77 3GFS FMN 5.17241
78 5ZI9 FLC 5.38462
79 1YP1 LYS ASN LEU 5.44554
80 5AJU RP5 5.47445
81 1I9Z 2IP 5.4755
82 3WQT ANP 5.51181
83 2I4O ATP 5.51181
84 2HYQ MAN MAN 5.7377
85 4BGB ADP 5.84615
86 3HQP OXL 6.03675
87 4UP5 94W 6.06061
88 1SQK ADP 6.36605
89 4PKG ATP 6.36605
90 4Z94 ATP 6.36605
91 5YEE ATP 6.36605
92 2V51 ATP 6.36605
93 5YEE LAB 6.36605
94 4B1V ATP 6.38298
95 4B1V LAB 6.38298
96 4B1W ATP 6.38298
97 4B1X ATP 6.38298
98 3SJH ATP 6.4
99 4PL8 ATP 6.4
100 2FXU ATP 6.4
101 1KXP ATP 6.4
102 3SJH LAR 6.4
103 4H03 ATP 6.4
104 4H03 LAR 6.4
105 3BF1 ADP 6.4257
106 4L9Z OXL 6.48968
107 5YPU ATP 6.52174
108 2A42 ATP 6.53846
109 2A40 ATP 6.53846
110 2A3Z ATP 6.53846
111 2D1K ATP 6.53846
112 2ZUX RAM 6.56168
113 6FOG OXL 6.69643
114 4EHU ANP 6.88406
115 2WQ4 SFU 7.05128
116 1NXJ TLA 7.10383
117 5ZBL AMP 7.38916
118 6FBA D48 7.44986
119 3MN6 ATP 7.48663
120 3MN9 ATP 7.48663
121 3U4L ATP 7.85714
122 2D0O ADP 7.87402
123 4PL7 ATP 7.87402
124 2PAV ATP 7.91367
125 3GUZ PAF 7.95455
126 1TL2 NDG 8.05085
127 1VBO MAN 8.05369
128 1VBO MAN MAN MAN 8.05369
129 2Q97 ATP 8.52713
130 5M45 AMP 8.92857
131 1XXA ARG 8.97436
132 3MN7 ATP 9.18367
133 2FF6 ATP 9.33333
134 2FF3 ATP 9.33333
135 4A62 ANP 9.375
136 2ZGY GDP 9.375
137 4DHY GLC 9.44882
138 1LOB MMA 9.61539
139 3ZZH ARG 9.77199
140 3KO0 TFP 9.90099
141 2IVN ANP 10
142 3RV5 DXC 10.1124
143 4PKI ATP 10.1852
144 5LX9 OLB 10.5634
145 3CIP ATP 10.9375
146 4CBX ATP 11.0236
147 4CBU ATP 11.0236
148 5ZZB ATP 11.0294
149 5ZZB LAB 11.0294
150 1YAG ATP 11.2
151 2YCH ATP 11.6711
152 5WS9 OXL 11.811
153 5G6U YJM 11.8774
154 3IT6 ORN 12.0603
155 3U9Z ADP 12.069
156 4EFH ADP 12.1212
157 5NM7 GLY 12.406
158 5LJW ANP 13.8329
159 5LY3 ADP 13.9108
160 5C2N NAG 14.5833
161 5ZZA ATP 15.7025
162 5ZZA LAB 15.7025
163 1T0S BML 16.2791
164 5Z84 CHD 16.3265
165 3K56 IS3 18.797
166 2ZFZ ARG 18.9873
167 1SQL GUN 19.863
168 2PBD ATP 20.9302
169 3MN5 ATP 21.0526
170 3MN5 LAB 21.0526
171 4CZG ADP 31.3218
172 4CZG QH3 31.3218
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