Receptor
PDB id Resolution Class Description Source Keywords
5EY4 1.86 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 ATPASE DOMAIN IN COMPLEX WITH 2'-DEOXY-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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTP A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 0.75 mM
491.182 C10 H16 N5 O12 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F1X 1.9 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 ATPASE DOMAIN IN COMPLEX WITH 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 218 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 (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
29 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
33 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
36 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
39 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
42 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
43 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
45 3FE1 - ADP MG n/a n/a
46 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
49 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
50 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
51 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
52 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
53 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
54 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
55 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
56 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
57 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
59 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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 2V7Y - 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 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
31 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
34 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
37 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
43 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
44 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
46 3FE1 - ADP MG n/a n/a
47 4GNI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
48 4JN4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
49 4JNE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
52 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
53 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
54 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
55 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
56 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
57 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
60 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
61 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
62 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
63 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
64 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DTP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 DTP 1 1
2 DAT 0.891892 1
3 D5M 0.773333 0.971831
4 DA 0.773333 0.971831
5 AS 0.696203 0.92
6 DDS 0.694118 0.944444
7 3AT 0.655172 0.931507
8 7D4 0.635294 0.893333
9 ATP 0.627907 0.905405
10 3D1 0.626667 0.835616
11 3L1 0.626667 0.835616
12 5FA 0.62069 0.905405
13 AQP 0.62069 0.905405
14 CPA 0.584906 0.8625
15 ZDA 0.577778 0.853333
16 AP5 0.574713 0.88
17 B4P 0.574713 0.88
18 5F1 0.56962 0.794521
19 BA3 0.563218 0.88
20 DGT 0.557895 0.909091
21 ADP 0.556818 0.905405
22 101 0.552941 0.917808
23 7D3 0.551724 0.893333
24 A2D 0.54023 0.88
25 DOI 0.539326 0.917808
26 2A5 0.532609 0.932432
27 25L 0.529412 0.893333
28 AGS 0.526882 0.858974
29 SAP 0.526882 0.858974
30 ATR 0.526882 0.930556
31 PAP 0.526882 0.917808
32 TAT 0.515789 0.87013
33 103 0.505747 0.826667
34 AN2 0.5 0.893333
35 APR 0.5 0.88
36 ACQ 0.5 0.906667
37 AR6 0.5 0.88
38 A1R 0.49505 0.921053
39 AD9 0.494737 0.881579
40 M33 0.494624 0.868421
41 AV2 0.489796 0.88
42 ACP 0.489362 0.906667
43 A 0.488636 0.878378
44 AMP 0.488636 0.878378
45 7D5 0.488372 0.866667
46 T5A 0.486957 0.853659
47 NA7 0.485437 0.945946
48 DGI 0.484536 0.909091
49 ANP 0.484536 0.881579
50 128 0.482143 0.747126
51 A2R 0.48 0.893333
52 CA0 0.478723 0.857143
53 ADX 0.478723 0.795181
54 A22 0.475248 0.893333
55 ABM 0.472527 0.831169
56 PRX 0.46875 0.833333
57 APC 0.46875 0.92
58 ADQ 0.466019 0.857143
59 PPS 0.464646 0.817073
60 ITT 0.463158 0.853333
61 A2P 0.462366 0.916667
62 A3P 0.462366 0.90411
63 DA DT DA DA 0.460317 0.829268
64 ATF 0.46 0.87013
65 50T 0.458333 0.868421
66 N5P 0.456311 0.797468
67 4AD 0.451923 0.883117
68 5AL 0.45 0.844156
69 3OD 0.448598 0.857143
70 A12 0.446809 0.92
71 AP2 0.446809 0.92
72 G5P 0.446429 0.8375
73 AMP MG 0.445652 0.807692
74 A4P 0.444444 0.790698
75 UP5 0.443478 0.835443
76 OAD 0.443396 0.857143
77 MDR 0.44186 0.783784
78 SRP 0.441176 0.87013
79 DU DU DU DU BRU DA DU 0.439394 0.809524
80 7DT 0.438776 0.891892
81 G3A 0.4375 0.8375
82 AP0 0.435897 0.814815
83 NB8 0.435185 0.860759
84 SRA 0.434783 0.833333
85 DLL 0.433962 0.844156
86 00A 0.433962 0.802469
87 2AM 0.433333 0.90411
88 AU1 0.43299 0.881579
89 ADP MG 0.43299 0.820513
90 DCP 0.43299 0.831169
91 NAI 0.431034 0.825
92 6V0 0.431034 0.814815
93 GTA 0.429825 0.807229
94 3AM 0.428571 0.864865
95 25A 0.428571 0.88
96 OOB 0.428571 0.844156
97 BEF ADP 0.428571 0.8
98 8QN 0.428571 0.844156
99 ADP BEF 0.428571 0.8
100 5SV 0.428571 0.814815
101 9SN 0.427273 0.792683
102 PR8 0.425926 0.8625
103 WAQ 0.425926 0.871795
104 V3L 0.425743 0.88
105 139 0.425 0.8625
106 NDP 0.425 0.8375
107 AMO 0.424528 0.894737
108 PAJ 0.424528 0.804878
109 BIS 0.422018 0.848101
110 FYA 0.422018 0.893333
111 1ZZ 0.422018 0.807229
112 PTJ 0.422018 0.814815
113 NZQ 0.421488 0.85
114 ADV 0.42 0.894737
115 RBY 0.42 0.894737
116 ADP PO3 0.42 0.853333
117 OVE 0.419355 0.868421
118 MAP 0.419048 0.858974
119 GGZ 0.419048 0.792683
120 TXD 0.418803 0.848101
121 3AD 0.418605 0.77027
122 ALF ADP 0.417476 0.790123
123 ADP ALF 0.417476 0.790123
124 3UK 0.416667 0.833333
125 ATP MG 0.415842 0.820513
126 TXE 0.415254 0.848101
127 0WD 0.414634 0.8375
128 12D 0.413793 0.755814
129 ANP MG 0.413462 0.8125
130 LAD 0.412844 0.85
131 GAP 0.411765 0.810127
132 2FD 0.411111 0.805195
133 YAP 0.410714 0.858974
134 FA5 0.410714 0.87013
135 48N 0.410256 0.8375
136 CNA 0.409836 0.87013
137 TXP 0.409836 0.860759
138 PUA 0.409449 0.897436
139 TXA 0.409091 0.846154
140 ME8 0.409091 0.807229
141 AFH 0.408696 0.82716
142 DGP 0.408163 0.896104
143 SON 0.408163 0.894737
144 DG 0.408163 0.896104
145 AHX 0.407407 0.860759
146 DND 0.40678 0.846154
147 NXX 0.40678 0.846154
148 NAX 0.40678 0.839506
149 NJP 0.406504 0.858974
150 DA DC DG DA 0.405594 0.821429
151 7D7 0.404762 0.733333
152 OMR 0.403361 0.819277
153 GH3 0.401869 0.858974
154 LAQ 0.401709 0.807229
155 NPW 0.401639 0.851852
156 VO4 ADP 0.4 0.844156
157 RAB 0.4 0.76
158 XYA 0.4 0.76
159 ADP VO4 0.4 0.844156
160 CL9 0.4 0.805195
161 ADN 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F1X; Ligand: ATP; Similar sites found: 83
This union binding pocket(no: 1) in the query (biounit: 5f1x.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2UYT ADP 0.0009667 0.42065 1.75
2 2UYT LRH 0.0009667 0.42065 1.75
3 4L80 OXL 0.02255 0.40458 2.01149
4 1P77 ATR 0.04651 0.40036 2.20588
5 5U7W ADE 0.03347 0.4112 2.25
6 5TE1 7A2 0.02131 0.41439 3
7 4B1X ATP 0.000000002977 0.6859 3.25
8 4B1V ATP 0.00000002709 0.59769 3.25
9 2V51 ATP 0.000000002297 0.57302 3.25
10 4B1V LAB 0.00000005116 0.57265 3.25
11 1SQK ADP 0.000000004599 0.52737 3.25
12 4Z94 ATP 0.00000003782 0.51184 3.25
13 4B1X LAB 0.0003453 0.50714 3.25
14 4RW3 PLM 0.01634 0.42928 3.31126
15 4RW3 SHV 0.009886 0.41479 3.31126
16 3AAQ ARU 0.0001057 0.46577 3.39943
17 2YCH ATP 0.000000005102 0.66769 3.44828
18 1KXP ATP 0.000000002067 0.70153 3.46667
19 2FXU ATP 0.00000008231 0.61668 3.46667
20 3SJH ATP 0.000000002447 0.57212 3.46667
21 3SJH LAR 0.0000000743 0.56949 3.46667
22 4H03 ATP 0.0000001024 0.5615 3.46667
23 4H03 LAR 0.0000001162 0.55124 3.46667
24 4A59 AMP 0.004269 0.42201 3.5
25 2E2P ADP 0.002997 0.44444 3.67893
26 2ZGY GDP 0.0000001452 0.62731 3.75
27 4PKG ATP 0.000000003326 0.69239 3.76344
28 2FF3 ATP 0.000000001901 0.56538 4
29 2FF6 ATP 0.000000002408 0.5608 4
30 4MO4 ACP 0.0001358 0.46419 4.04313
31 1T44 ATP 0.000000003482 0.55643 4.08163
32 4A2B AGS 0.0000002032 0.51464 4.25
33 4A2A ATP 0.0000002571 0.50534 4.25
34 2A42 ATP 0.000000002542 0.56225 4.61538
35 2A3Z ATP 0.000000002999 0.56057 4.61538
36 2A40 ATP 0.000000002921 0.56007 4.61538
37 3CIP ATP 0.00000003755 0.50345 4.8
38 3BF1 ADP 0.0002526 0.41434 4.81928
39 4BGB ADP 0.0004061 0.49739 4.92308
40 2YVK MRU 0.01404 0.40521 5.08021
41 3U4L ATP 0.000000001406 0.58019 5.33333
42 3MN6 ATP 0.000000001264 0.70204 5.34759
43 3MN9 ATP 0.000000004771 0.55433 5.34759
44 4PL8 ATP 0.000000003305 0.69251 5.47945
45 5HTX ADP 0.0002704 0.5063 5.5
46 3WMX THR 0.01604 0.40858 5.58659
47 1YAG ATP 0.0000000002873 0.62109 5.86667
48 4B1W ATP 0.0000000004869 0.60313 6.25
49 3G6N MET ALA SER 0.03161 0.40942 6.28272
50 4YDU ADP 0.00006071 0.43638 6.32911
51 5FS0 5JC 0.03829 0.40105 6.63507
52 4EHU ANP 0.0000001578 0.53043 6.88406
53 2Q97 ATP 0.00009332 0.48111 6.97674
54 4CBU ATP 0.000000002215 0.6674 7.08661
55 2G2Y MLI 0.03601 0.40258 7.14286
56 5EOU ATP 0.000000006474 0.56026 7.52688
57 3MAN BMA BMA MAN 0.03519 0.4054 7.94702
58 3MN7 ATP 0.0000000006253 0.59904 8.16327
59 4FE2 ADP 0.02346 0.40465 8.23529
60 3WQT ANP 0.00000001068 0.55487 9.25
61 4PKI ATP 0.000000002511 0.5618 10.1852
62 3U9Z ADP 0.00000000254 0.71618 10.3448
63 2PAV ATP 0.00000003972 0.58568 10.7914
64 2PBD ATP 0.000000001581 0.56697 10.7914
65 4CBX ATP 0.000000001747 0.70476 11.3757
66 4BR5 ANP 0.0002628 0.4464 11.75
67 4ZLU ADP 0.000036 0.48089 13
68 4ZLU 4PW 0.000036 0.48089 13
69 2IVN ANP 0.00002983 0.49359 13.0303
70 1YRO UDP 0.02615 0.41053 13.2867
71 5LJW ANP 0.000000008588 0.52124 14.121
72 2ZFZ ARG 0.03147 0.40338 18.9873
73 4CZG ADP 0.000000001668 0.64698 19.2529
74 4CZG QH3 0.000000001903 0.64698 19.2529
75 4EFH ADP 0.000000001347 0.55112 21.2121
76 2D0O ADP 0.0000003304 0.63498 21.75
77 1QKQ MAN 0.001482 0.43503 24.6479
78 4B1Y ATP 0.000000004574 0.57063 28.125
79 3MN5 ATP 0.000000002878 0.56976 34.2105
80 2V52 ATP 0.000000002052 0.57524 34.375
81 2D1K ATP 0.000000003148 0.55963 34.375
82 4A62 ANP 0.0000005018 0.58285 35.2941
83 5LY3 ADP 0.00000008736 0.63727 43.75
Pocket No.: 2; Query (leader) PDB : 5F1X; Ligand: ATP; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 5f1x.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U1J MET 0.02998 0.40303 2
2 4OEV OXL 0.01917 0.42295 2.5
3 2AOU CQA 0.02247 0.41319 3.42466
4 2AUY NAG MAN MMA 0.01465 0.41114 3.57143
5 2GND MAN 0.04079 0.40366 3.57143
6 1Q8Q MAN MMA 0.04279 0.40249 3.57143
7 1Q9I FAD 0.01345 0.40026 3.85289
8 1Q9I TEO 0.01345 0.40026 3.85289
9 2QV7 ADP 0.01774 0.40371 7.12166
10 4OAS 2SW 0.01825 0.40651 7.29167
11 2JHP GUN 0.04535 0.40793 7.5
12 4FHT DHB 0.03025 0.41231 8.28025
13 4LWU 20U 0.01355 0.41278 9.41177
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