Receptor
PDB id Resolution Class Description Source Keywords
1KHB 1.85 Å EC: 4.1.1.32 PEPCK COMPLEX WITH NONHYDROLYZABLE GTP ANALOG, NATIVE DATA HOMO SAPIENS GLUCONEOGENESIS P-LOOP LYASE
Ref.: CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC PHOSPHOENOLPYRUVATE CARBOXYKINASE REVEALS A NEW GTP-BINDING SITE. J.MOL.BIOL. V. 316 257 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:703;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
EDO A:705;
A:706;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GCP A:704;
Valid;
none;
submit data
521.208 C11 H18 N5 O13 P3 c1nc2...
MN A:701;
A:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NHX 2.1 Å EC: 4.1.1.32 PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR HOMO SAPIENS GLUCONEOGENESIS XANTHINE INHIBITOR LYASE
Ref.: X-RAY STRUCTURES OF TWO XANTHINE INHIBITORS BOUND TO PEPCK AND N-3 MODIFICATIONS OF SUBSTITUTED 1,8-DIBENZYLXANTHINES BIOORG.MED.CHEM.LETT. V. 13 3871 2003
Members (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
5 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
9 4GNQ - OXL C2 O4 C(=O)(C(=O....
10 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
11 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
15 4GMU - OXL C2 O4 C(=O)(C(=O....
16 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
17 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
18 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
19 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
20 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
21 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
22 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
23 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
24 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
25 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
26 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
27 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
28 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
29 4GNM - OXL C2 O4 C(=O)(C(=O....
30 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
31 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
33 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
34 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
35 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
36 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
37 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
40 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
41 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
42 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
43 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
5 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
9 4GNQ - OXL C2 O4 C(=O)(C(=O....
10 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
11 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
15 4GMU - OXL C2 O4 C(=O)(C(=O....
16 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
17 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
18 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
19 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
20 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
21 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
22 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
23 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
24 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
25 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
26 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
27 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
28 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
29 4GNM - OXL C2 O4 C(=O)(C(=O....
30 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
31 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
33 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
34 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
35 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
36 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
37 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
40 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
41 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
42 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
43 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
44 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
45 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
46 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
47 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R43 Kd = 9.3 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
6 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
10 4GNQ - OXL C2 O4 C(=O)(C(=O....
11 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
12 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
16 4GMU - OXL C2 O4 C(=O)(C(=O....
17 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
18 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
19 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
20 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
21 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
22 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
23 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
24 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
25 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
26 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
27 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
28 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
29 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
30 4GNM - OXL C2 O4 C(=O)(C(=O....
31 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
32 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
33 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
34 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
35 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
36 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
37 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
40 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
41 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
42 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
43 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
44 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
45 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
46 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
47 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
48 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GCP; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 GCP 1 1
2 GP3 0.8375 0.948718
3 GDP 0.82716 0.973684
4 GNH 0.817073 0.961039
5 GP2 0.804878 0.987013
6 GTP 0.797619 0.973684
7 G1R 0.788235 0.961039
8 GSP 0.77907 0.925
9 GNP 0.77907 0.948718
10 5GP 0.765432 0.960526
11 G 0.765432 0.960526
12 G2P 0.758621 0.987013
13 GMV 0.755814 0.948718
14 G2R 0.736264 0.961538
15 Y9Z 0.715789 0.903614
16 GDP MG 0.704545 0.9
17 GAV 0.703297 0.936709
18 G3A 0.701031 0.948718
19 GDC 0.697917 0.936709
20 GDD 0.697917 0.936709
21 GKE 0.697917 0.936709
22 GDP BEF 0.696629 0.878049
23 ALF 5GP 0.696629 0.86747
24 G5P 0.693878 0.948718
25 GPG 0.691489 0.936709
26 GDR 0.690722 0.936709
27 GTG 0.690722 0.91358
28 GFB 0.690722 0.936709
29 GDP AF3 0.688172 0.86747
30 YGP 0.6875 0.879518
31 GCP G 0.684783 0.935897
32 6CK 0.683673 0.91358
33 GTP MG 0.673913 0.9
34 BEF GDP 0.673913 0.86747
35 GKD 0.67 0.936709
36 JB2 0.67 0.936709
37 GDX 0.663366 0.948718
38 GPD 0.663366 0.925926
39 GDP ALF 0.652632 0.86747
40 JB3 0.632075 0.925
41 GMP 0.62963 0.857143
42 NGD 0.626168 0.936709
43 G G 0.616162 0.911392
44 G3D 0.610526 0.960526
45 2MD 0.609091 0.870588
46 G4P 0.597938 0.960526
47 U2G 0.59633 0.91358
48 FEG 0.59633 0.880952
49 GDP 7MG 0.596154 0.888889
50 CAG 0.59292 0.860465
51 MGD 0.59292 0.870588
52 ZGP 0.590909 0.870588
53 0O2 0.59 0.960526
54 CG2 0.585586 0.91358
55 PGD 0.57265 0.902439
56 MD1 0.57265 0.892857
57 3GP 0.566667 0.922078
58 TPG 0.563025 0.842697
59 DBG 0.563025 0.925
60 FE9 0.550847 0.760417
61 ACP 0.548387 0.922078
62 GH3 0.54 0.973684
63 I2C FE2 CMO CMO 0.533898 0.791209
64 2GP 0.532609 0.935065
65 G4M 0.53125 0.860465
66 U A G G 0.529915 0.911392
67 GPX 0.529412 0.922078
68 DGI 0.525773 0.924051
69 G A A A 0.521368 0.9
70 IDP 0.520833 0.947368
71 DGT 0.52 0.924051
72 P1G 0.510417 0.873418
73 G1G 0.504132 0.902439
74 BGO 0.5 0.901235
75 G1R G1R 0.5 0.901235
76 PGD O 0.496 0.831461
77 ACQ 0.494949 0.922078
78 G G U 0.491071 0.911392
79 P2G 0.489583 0.860759
80 GGM 0.487395 0.879518
81 MGP 0.485149 0.936709
82 6G0 0.480392 0.936709
83 DG 0.479167 0.911392
84 DGP 0.479167 0.911392
85 GPC 0.47541 0.858824
86 G C 0.475 0.878049
87 4TC 0.470085 0.876543
88 IMP 0.46875 0.934211
89 GTA 0.464912 0.91358
90 G2Q 0.453704 0.961538
91 A2D 0.452632 0.871795
92 G G G C 0.452381 0.890244
93 G7M 0.44898 0.924051
94 APC G U 0.448 0.8875
95 U G A 0.445255 0.86747
96 SGP 0.444444 0.807229
97 BA3 0.443299 0.871795
98 G G G RPC 0.439024 0.853659
99 B4P 0.438776 0.871795
100 ADP 0.438776 0.896104
101 AP5 0.438776 0.871795
102 A G C C 0.4375 0.888889
103 ANP 0.436893 0.873418
104 G C C C 0.435115 0.901235
105 AN2 0.434343 0.884615
106 M33 0.43 0.860759
107 A12 0.428571 0.910256
108 AP2 0.428571 0.910256
109 A G U 0.427536 0.86747
110 PCG 0.427184 0.909091
111 35G 0.427184 0.909091
112 C2E 0.427184 0.897436
113 ATP 0.425743 0.896104
114 5GP 5GP 0.423077 0.860759
115 G U34 0.422764 0.86747
116 APR 0.421569 0.871795
117 AQP 0.421569 0.896104
118 AR6 0.421569 0.871795
119 5FA 0.421569 0.896104
120 SAP 0.417476 0.851852
121 AGS 0.417476 0.851852
122 AD9 0.417476 0.873418
123 UP5 0.416667 0.851852
124 CA0 0.415842 0.873418
125 ATF 0.415094 0.8625
126 A1R 0.409091 0.841463
127 01G 0.408696 0.880952
128 APC 0.407767 0.910256
129 DG DG 0.40708 0.86747
130 A4P 0.406504 0.848837
131 UCG 0.406015 0.888889
132 7DD 0.405941 0.883117
133 93A 0.405941 0.813953
134 6AD 0.40566 0.821429
135 ADX 0.401961 0.790698
136 AGO 0.401575 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NHX; Ligand: FTB; Similar sites found: 185
This union binding pocket(no: 1) in the query (biounit: 1nhx.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MKY GDP 0.001488 0.48334 1.36674
2 3BRE C2E 0.01835 0.43162 1.39665
3 1PUJ GNP 0.003369 0.45155 1.41844
4 1H65 GDP 0.01151 0.41264 1.48148
5 4DCT GDP 0.001049 0.48603 1.75439
6 2VF7 ADP 0.01905 0.42145 1.76
7 2ZJ5 ADP 0.004477 0.47219 1.92
8 2ACV UDP 0.02475 0.41215 1.94384
9 1G7S GDP 0.01669 0.42442 2.0202
10 5MZN ADP 0.007221 0.45679 2.08
11 4YS0 ADP 0.006607 0.43354 2.08
12 3RC3 ANP 0.02915 0.41923 2.08
13 2I4I AMP 0.0199 0.41043 2.15827
14 4IDN GNP 0.01487 0.40757 2.18818
15 4PJ3 ANP 0.007893 0.4334 2.24
16 2XAU ADP 0.01279 0.42662 2.24
17 1XKV ATP 0.00008116 0.53668 2.26843
18 4AG5 ADP 0.005431 0.46409 2.29592
19 3TMK T5A 0.002436 0.42483 2.31481
20 2XT3 ADP 0.006812 0.45924 2.32558
21 4R2I ANP 0.002478 0.48234 2.38095
22 2PNC CLU 0.03381 0.4187 2.4
23 1YQT ADP 0.009658 0.45186 2.41636
24 3Q3H UDP 0.01893 0.42536 2.56
25 5KSP GDP 0.001836 0.47359 2.63158
26 3SBD GNP 0.009384 0.40831 2.6738
27 2GWH A3P 0.02615 0.40467 2.68456
28 1D2E GDP 0.007602 0.4342 2.77078
29 4OHY ANP 0.00303 0.43249 2.78422
30 5JCP GDP ALF 0.01226 0.42059 2.86396
31 1ION ADP 0.01005 0.43188 2.88066
32 2OBM ADP 0.001381 0.49901 2.88184
33 1V8K ANP 0.01279 0.43434 2.92683
34 1YFS ALA 0.03679 0.41451 3.01075
35 3REF GDP 0.004843 0.42973 3.09278
36 1M2Z BOG 0.007025 0.47751 3.11284
37 3GJ0 GDP 0.006405 0.45013 3.16742
38 3GJ3 GDP 0.009747 0.44055 3.16742
39 3GJ5 GDP 0.009617 0.43673 3.16742
40 5BQ5 ADP BEF 0.003675 0.45381 3.1746
41 2YPI PGA 0.01259 0.43471 3.23887
42 4LJ9 ACP 0.03809 0.40926 3.24484
43 5L3V GDP 0.0008298 0.48617 3.34448
44 2Y8E GNP 0.01166 0.40424 3.35196
45 4A4Z ANP 0.005694 0.45281 3.36
46 3E5H GNP 0.01036 0.40647 3.37079
47 1JJV ATP 0.002491 0.48511 3.39806
48 4LYA ATP 0.005545 0.44901 3.39893
49 2A5F GTP 0.005821 0.42008 3.42857
50 2QZ4 ADP 0.01069 0.43055 3.43511
51 5HCN GCP 0.002052 0.47112 3.44828
52 3Q9L ATP 0.01262 0.41999 3.46154
53 4M9Q GNP 0.01351 0.40946 3.52423
54 5LB3 ADP 0.001199 0.49376 3.59551
55 5L3R GCP 0.002465 0.43641 3.65448
56 3LRE ADP 0.004331 0.46472 3.66197
57 1A4R GNH 0.005359 0.43792 3.66492
58 1A4R GDP 0.005315 0.43453 3.66492
59 4ITR GDP 0.005995 0.43207 3.66492
60 3TBK ANP 0.0002938 0.53319 3.78378
61 2FJU GSP 0.01283 0.4134 3.93258
62 1Y3A GDP 0.01564 0.40385 3.95137
63 1NST A3P 0.002526 0.45362 4
64 3EZ2 ADP 0.0248 0.42303 4.0201
65 2B8T THM 0.01111 0.41334 4.03587
66 3DZD ADP 0.00725 0.43521 4.07609
67 4QM7 GTP 0.001244 0.4874 4.09357
68 4B47 GDP 0.0075 0.45105 4.13223
69 4WZ6 ATP 0.02009 0.43315 4.13793
70 4QOS ADP 0.003828 0.45293 4.15094
71 4WCX MET 0.03788 0.40717 4.16667
72 1SQ5 ADP 0.001695 0.47537 4.22078
73 5KSZ GCP 0.002134 0.46564 4.24528
74 1ZJ6 G3D 0.007793 0.44142 4.27807
75 1R6B ADP 0.008433 0.43967 4.32
76 2BOS GLA GAL GLC NBU 0.02783 0.42345 4.41176
77 2BOS GLA GAL GLC 0.02888 0.4229 4.41176
78 1D2N ANP 0.009015 0.42051 4.41176
79 2QV7 ADP 0.01636 0.4178 4.45104
80 5A07 GDP 0.03867 0.40891 4.60829
81 1NY5 ADP 0.007297 0.43147 4.65116
82 2CJW GDP 0.003056 0.46697 4.6875
83 1Z2A GDP 0.002711 0.43781 4.7619
84 5VGR GDP 0.002815 0.45136 4.87239
85 4RW3 SHV 0.03831 0.42332 4.96689
86 4YMU ATP 0.002658 0.47523 5
87 1JJ7 ADP 0.01409 0.44028 5
88 5N69 ADP 0.02923 0.40532 5.02513
89 2RCN GDP 0.001365 0.4853 5.02793
90 2CBZ ATP 0.00172 0.48893 5.06329
91 3BFV ADP 0.00316 0.46621 5.16605
92 2HT6 GDP 0.003457 0.46911 5.17241
93 1YZN GNP 0.01063 0.40345 5.40541
94 2DPY ADP 0.0006677 0.51362 5.47945
95 5IRR GSP 0.003061 0.43877 5.51948
96 4DKX GDP 0.002869 0.4684 5.55556
97 1D5C GDP 0.006089 0.43525 5.55556
98 4KAX GTP 0.01512 0.40724 5.59006
99 2FH5 GTP 0.01907 0.4054 5.60748
100 1SVI GDP 0.0008694 0.50124 5.64103
101 4XGU ADP 0.008154 0.42914 5.66038
102 4PPF FLC 0.001605 0.48449 5.71429
103 3NKV GNP 0.005822 0.41724 5.71429
104 1I4D GDP 0.003484 0.46892 5.72917
105 3IX9 MTX 0.02917 0.41188 5.78947
106 1JI0 ATP 0.008349 0.45332 5.83333
107 1G4U GDP 0.01135 0.41896 5.97826
108 3GJ7 GDP 0.008326 0.44414 6.12245
109 1W4R TTP 0.006437 0.41008 6.15385
110 3BOS CDP 0.01095 0.43789 6.19835
111 1ZRH A3P 0.01886 0.40562 6.20438
112 3W5J GDP 0.0009562 0.50579 6.37255
113 3BFX A3P 0.01306 0.41608 6.41892
114 2W2X GSP 0.007521 0.42416 6.45161
115 1DAR GDP 0.0009056 0.49462 6.56
116 2YOH WMJ 0.00268 0.41296 6.66667
117 5FTB ANP 0.0115 0.42895 6.69746
118 4XSH GSP 0.01016 0.42125 6.70391
119 2PL3 ADP 0.001061 0.4966 6.77966
120 1TX4 ALF GDP 0.01718 0.40202 6.77966
121 2F9L GDP 0.005339 0.4247 7.03518
122 1B7T ADP 0.02615 0.41093 7.05128
123 1EK0 GNP 0.006966 0.41389 7.05882
124 5GOE GDP 0.001968 0.4674 7.109
125 1IHU AF3 0.001111 0.45871 7.13073
126 1IHU ADP 0.001396 0.45063 7.13073
127 1KK8 BEF ADP 0.008003 0.42953 7.14286
128 5N53 8NB 0.01943 0.43437 7.17949
129 3IIJ ADP 0.006428 0.45004 7.22222
130 5XDR ADP 0.03806 0.40587 7.36
131 2QG6 NMN 0.004095 0.41825 7.53769
132 4K81 GTP 0.007192 0.40807 7.60234
133 2BCG GDP 0.003404 0.44365 7.72627
134 3B5J 12D 0.04878 0.41075 7.81893
135 5JCZ GDP 0.001561 0.4596 7.82123
136 2A5J GDP 0.002935 0.4587 7.8534
137 1QHH ATP 0.00898 0.43827 8.05861
138 1HE1 GDP 0.01356 0.41229 8.14815
139 4KVG GTP 0.01251 0.40292 8.46154
140 1LVG ADP 0.002317 0.48394 8.58586
141 1NF3 GNP 0.00469 0.42128 8.59375
142 1Z0A GDP 0.002539 0.46186 8.62069
143 4YDS ATP 0.01772 0.43527 8.77193
144 3DOE GTP 0.009952 0.41263 8.85417
145 4PC3 GDP 0.001679 0.46638 8.88325
146 3U6B GDP 0.004777 0.46157 8.88325
147 2X77 GDP 0.008778 0.43877 9.52381
148 1NRJ GTP 0.002208 0.44877 9.63303
149 2QN6 GDP 0.00411 0.46508 9.67742
150 1G3Q ADP 0.00593 0.44751 9.70464
151 4LHW GNP 0.006599 0.4149 9.77011
152 3TNF GNP 0.008598 0.40485 9.89583
153 5TAR GDP 0.004271 0.4465 10.1351
154 1KAO GDP 0.00658 0.43363 10.1796
155 1G7C 5GP 0.007257 0.44728 10.6383
156 1J2J GTP 0.01016 0.41222 10.8434
157 4KBF AMP 0.002666 0.47516 10.9589
158 1S9D GDP 0.00541 0.44956 10.9756
159 1MFA GLA MMA ABE 0.04064 0.41042 11.0236
160 1GP2 GDP 0.01258 0.40808 11.2676
161 1FZQ GDP 0.006397 0.45015 11.6022
162 1YTM OXD 0.000009686 0.60512 11.6541
163 1YTM ATP 0.00009447 0.51194 11.6541
164 4V0K GDP 0.006749 0.41727 11.8343
165 3E70 GDP 0.0007742 0.49278 11.8902
166 3WY9 GDP 0.009783 0.44484 12.5
167 1OS1 PYR 0.0000008984 0.46686 12.5926
168 1OS1 ATP 0.0000007567 0.46539 12.5926
169 3QBT GNP 0.01012 0.4069 12.8571
170 5DI3 GNP 0.01318 0.40996 12.973
171 1Z0K GTP 0.01332 0.40697 13.0435
172 3KIF GDL 0.03286 0.42036 13.2075
173 1Z0F GDP 0.001672 0.47567 13.4078
174 5KDO GDP 0.01876 0.40573 14.8649
175 5E95 GDP 0.005606 0.43698 15.4639
176 2OM2 GDP 0.006965 0.4257 16.6667
177 5E5U MLI 0.02113 0.43355 17.0854
178 2NGR GDP 0.004853 0.45198 17.094
179 3MJH GTP 0.007731 0.41194 17.6471
180 1S8F GDP 0.004141 0.45121 18.0791
181 5TDC NMM ILE PHE SER 0.01499 0.4404 18.4211
182 1UPT GTP 0.006676 0.4234 20.4678
183 1R4A GNP 0.00471 0.42411 20.6061
184 4CVN ADP 0.0004958 0.52072 24.0876
185 1YZG GDP 0.005344 0.44983 28.4916
Pocket No.: 2; Query (leader) PDB : 1NHX; Ligand: PEP; Similar sites found: 181
This union binding pocket(no: 2) in the query (biounit: 1nhx.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MKY GDP 0.001443 0.48299 1.36674
2 3BRE C2E 0.01774 0.43162 1.39665
3 1PUJ GNP 0.003216 0.45155 1.41844
4 1H65 GDP 0.01151 0.41172 1.48148
5 4DCT GDP 0.001045 0.48505 1.75439
6 2VF7 ADP 0.01831 0.42145 1.76
7 2ZJ5 ADP 0.004302 0.47219 1.92
8 2ACV UDP 0.02379 0.41215 1.94384
9 1G7S GDP 0.01748 0.42248 2.0202
10 5MZN ADP 0.006942 0.45679 2.08
11 4YS0 ADP 0.008386 0.42762 2.08
12 3RC3 ANP 0.0281 0.41923 2.08
13 2I4I AMP 0.02145 0.40797 2.15827
14 4IDN GNP 0.01421 0.40757 2.18818
15 4PJ3 ANP 0.007553 0.4334 2.24
16 2XAU ADP 0.01227 0.42662 2.24
17 1XKV ATP 0.00007677 0.53668 2.26843
18 4AG5 ADP 0.005223 0.46409 2.29592
19 3TMK T5A 0.002301 0.42483 2.31481
20 2XT3 ADP 0.00656 0.45924 2.32558
21 4R2I ANP 0.002585 0.48032 2.38095
22 1YQT ADP 0.009301 0.45186 2.41636
23 3Q3H UDP 0.02511 0.426 2.56
24 5KSP GDP 0.001852 0.47238 2.63158
25 3SBD GNP 0.009341 0.40747 2.6738
26 2GWH A3P 0.02509 0.40467 2.68456
27 1D2E GDP 0.007274 0.4342 2.77078
28 5JCP GDP ALF 0.01225 0.4197 2.86396
29 1ION ADP 0.009638 0.43188 2.88066
30 2OBM ADP 0.001477 0.49659 2.88184
31 1V8K ANP 0.01229 0.43434 2.92683
32 1YFS ALA 0.03566 0.41451 3.01075
33 3REF GDP 0.004724 0.42925 3.09278
34 1M2Z BOG 0.007254 0.47682 3.11284
35 3GJ0 GDP 0.006363 0.44933 3.16742
36 3GJ3 GDP 0.009617 0.43993 3.16742
37 3GJ5 GDP 0.009479 0.43613 3.16742
38 5BQ5 ADP BEF 0.003824 0.45197 3.1746
39 2YPI PGA 0.0121 0.43471 3.23887
40 4LJ9 ACP 0.03862 0.4081 3.24484
41 5L3V GDP 0.0007899 0.48617 3.34448
42 2Y8E GNP 0.01376 0.40024 3.35196
43 4A4Z ANP 0.005113 0.45429 3.36
44 3E5H GNP 0.01001 0.40618 3.37079
45 1JJV ATP 0.002391 0.48511 3.39806
46 1B09 PC 0.0258 0.42415 3.39806
47 4LYA ATP 0.008221 0.4393 3.39893
48 2A5F GTP 0.005463 0.42033 3.42857
49 2QZ4 ADP 0.01055 0.42992 3.43511
50 5HCN GCP 0.002033 0.47031 3.44828
51 3Q9L ATP 0.01209 0.41999 3.46154
52 4M9Q GNP 0.01275 0.40971 3.52423
53 5LB3 ADP 0.001158 0.49351 3.59551
54 5L3R GCP 0.002337 0.43641 3.65448
55 3LRE ADP 0.004172 0.46472 3.66197
56 1A4R GNH 0.005468 0.43654 3.66492
57 1A4R GDP 0.005361 0.4334 3.66492
58 4ITR GDP 0.006058 0.4309 3.66492
59 3TBK ANP 0.0003351 0.52893 3.78378
60 2FJU GSP 0.01325 0.41185 3.93258
61 1NST A3P 0.002465 0.45312 4
62 3EZ2 ADP 0.0239 0.42303 4.0201
63 2B8T THM 0.0106 0.41334 4.03587
64 3DZD ADP 0.007093 0.43473 4.07609
65 4QM7 GTP 0.001188 0.4874 4.09357
66 4B47 GDP 0.00745 0.45027 4.13223
67 4WZ6 ATP 0.01938 0.43315 4.13793
68 4QOS ADP 0.003659 0.45293 4.15094
69 4WCX MET 0.03675 0.40717 4.16667
70 1SQ5 ADP 0.001688 0.47443 4.22078
71 5KSZ GCP 0.002258 0.4634 4.24528
72 1ZJ6 G3D 0.007466 0.44144 4.27807
73 1R6B ADP 0.008086 0.43967 4.32
74 2BOS GLA GAL GLC NBU 0.02693 0.42345 4.41176
75 1D2N ANP 0.009266 0.41903 4.41176
76 5A07 GDP 0.03728 0.40891 4.60829
77 1NY5 ADP 0.007358 0.43035 4.65116
78 2CJW GDP 0.002261 0.47281 4.6875
79 1Z2A GDP 0.002638 0.43734 4.7619
80 5VGR GDP 0.003206 0.44766 4.87239
81 4YMU ATP 0.002546 0.47523 5
82 1JJ7 ADP 0.01361 0.44028 5
83 5N69 ADP 0.02875 0.40482 5.02513
84 2RCN GDP 0.001304 0.4853 5.02793
85 2CBZ ATP 0.001653 0.48893 5.06329
86 3BFV ADP 0.003025 0.46621 5.16605
87 2HT6 GDP 0.003451 0.46816 5.17241
88 1YZN GNP 0.01039 0.40296 5.40541
89 2DPY ADP 0.0007261 0.51054 5.47945
90 5IRR GSP 0.003314 0.43622 5.51948
91 4DKX GDP 0.002552 0.47006 5.55556
92 1D5C GDP 0.006252 0.43375 5.55556
93 4KAX GTP 0.0119 0.41106 5.59006
94 2FH5 GTP 0.0188 0.4048 5.60748
95 1SVI GDP 0.0008775 0.49996 5.64103
96 4XGU ADP 0.008117 0.4283 5.66038
97 4PPF FLC 0.001544 0.48449 5.71429
98 3NKV GNP 0.005914 0.416 5.71429
99 1I4D GDP 0.003489 0.46791 5.72917
100 3IX9 MTX 0.0302 0.41024 5.78947
101 1JI0 ATP 0.008029 0.45332 5.83333
102 1G4U GDP 0.01182 0.41723 5.97826
103 3GJ7 GDP 0.008266 0.44338 6.12245
104 1W4R TTP 0.006107 0.41008 6.15385
105 3BOS CDP 0.01052 0.43789 6.19835
106 1ZRH A3P 0.01805 0.40562 6.20438
107 3W5J GDP 0.0009166 0.50579 6.37255
108 3BFX A3P 0.0125 0.41608 6.41892
109 2W2X GSP 0.007783 0.42253 6.45161
110 1DAR GDP 0.0009985 0.49134 6.56
111 2YOH WMJ 0.002523 0.41296 6.66667
112 5FTB ANP 0.01086 0.42928 6.69746
113 4XSH GSP 0.01063 0.4194 6.70391
114 2PL3 ADP 0.001825 0.48296 6.77966
115 1TX4 ALF GDP 0.01784 0.4004 6.77966
116 2F9L GDP 0.005222 0.42417 7.03518
117 1B7T ADP 0.02818 0.40843 7.05128
118 1EK0 GNP 0.006104 0.41541 7.05882
119 5GOE GDP 0.001939 0.46671 7.109
120 1IHU AF3 0.002912 0.43876 7.13073
121 1IHU ADP 0.003864 0.42998 7.13073
122 1KK8 BEF ADP 0.009238 0.4256 7.14286
123 5N53 8NB 0.01874 0.43437 7.17949
124 3IIJ ADP 0.006165 0.45004 7.22222
125 5XDR ADP 0.03666 0.40587 7.36
126 2QG6 NMN 0.003879 0.41825 7.53769
127 4K81 GTP 0.007532 0.4063 7.60234
128 2BCG GDP 0.003423 0.44255 7.72627
129 3B5J 12D 0.04715 0.41075 7.81893
130 5JCZ GDP 0.001505 0.45931 7.82123
131 2A5J GDP 0.002527 0.46096 7.8534
132 1QHH ATP 0.009707 0.4356 8.05861
133 1HE1 GDP 0.01355 0.4114 8.14815
134 4KVG GTP 0.01269 0.40175 8.46154
135 1LVG ADP 0.002221 0.48394 8.58586
136 1NF3 GNP 0.004679 0.42036 8.59375
137 1Z0A GDP 0.002495 0.46124 8.62069
138 4YDS ATP 0.01708 0.43527 8.77193
139 4DXD 9PC 0.02318 0.40057 8.83838
140 3DOE GTP 0.009718 0.41217 8.85417
141 4PC3 GDP 0.001561 0.4669 8.88325
142 3U6B GDP 0.004687 0.46105 8.88325
143 2X77 GDP 0.008713 0.43801 9.52381
144 1NRJ GTP 0.002099 0.44877 9.63303
145 2QN6 GDP 0.00399 0.46479 9.67742
146 1G3Q ADP 0.005681 0.44751 9.70464
147 4LHW GNP 0.006745 0.41355 9.77011
148 3TNF GNP 0.008687 0.40373 9.89583
149 5TAR GDP 0.00436 0.44509 10.1351
150 1KAO GDP 0.006683 0.43236 10.1796
151 1G7C 5GP 0.007364 0.446 10.6383
152 1J2J GTP 0.0096 0.41241 10.8434
153 4KBF AMP 0.002816 0.47289 10.9589
154 1S9D GDP 0.005181 0.44956 10.9756
155 1MFA GLA MMA ABE 0.03932 0.41042 11.0236
156 1GP2 GDP 0.0121 0.40792 11.2676
157 1FZQ GDP 0.006191 0.44995 11.6022
158 1YTM OXD 0.000009214 0.60512 11.6541
159 1YTM ATP 0.00008898 0.51194 11.6541
160 4V0K GDP 0.00659 0.41677 11.8343
161 3E70 GDP 0.0007721 0.49176 11.8902
162 3WY9 GDP 0.009485 0.44464 12.5
163 1OS1 PYR 0.0000008203 0.47235 12.5926
164 1OS1 ATP 0.0000006958 0.47075 12.5926
165 3QBT GNP 0.01088 0.40463 12.8571
166 5DI3 GNP 0.01458 0.40705 12.973
167 1Z0K GTP 0.01334 0.40603 13.0435
168 3KIF GDL 0.03173 0.42036 13.2075
169 1Z0F GDP 0.00166 0.4748 13.4078
170 5KDO GDP 0.01846 0.40517 14.8649
171 5E95 GDP 0.005506 0.4364 15.4639
172 2OM2 GDP 0.006699 0.42554 16.6667
173 5E5U MLI 0.02052 0.43355 17.0854
174 2NGR GDP 0.004934 0.45064 17.094
175 3MJH GTP 0.007628 0.41125 17.6471
176 1S8F GDP 0.004246 0.44969 18.0791
177 5TDC NMM ILE PHE SER 0.01447 0.4404 18.4211
178 1UPT GTP 0.01169 0.41142 20.4678
179 1R4A GNP 0.004492 0.42404 20.6061
180 4CVN ADP 0.000433 0.52283 24.0876
181 1YZG GDP 0.005093 0.44994 28.4916
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