Receptor
PDB id Resolution Class Description Source Keywords
1MEZ 2.4 Å EC: 6.3.4.4 STRUCTURE OF THE RECOMBINANT MOUSE-MUSCLE ADENYLOSUCCINATE S COMPLEXED WITH SAMP, GDP, SO4(2-), AND MG(2+) MUS MUSCULUS PURINE BIOSYNTHESIS GTP-BINDING MULTIGENE FAMILY LIGASE
Ref.: FEEDBACK INHIBITION AND PRODUCT COMPLEXES OF RECOMB MOUSE MUSCLE ADENYLOSUCCINATE SYNTHETASE. J.BIOL.CHEM. V. 277 40536 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2SA A:1455;
Valid;
none;
submit data
463.293 C14 H18 N5 O11 P c1nc(...
GDP A:1452;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:1453;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:1454;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IWE 2.1 Å EC: 6.3.4.4 IMP COMPLEX OF THE RECOMBINANT MOUSE-MUSCLE ADENYLOSUCCINATE SYNTHETASE MUS MUSCULUS PURINE BIOSYNTHESIS LIGASE GTP-BINDING
Ref.: IMP, GTP, AND 6-PHOSPHORYL-IMP COMPLEXES OF RECOMBINANT MOUSE MUSCLE ADENYLOSUCCINATE SYNTHETASE. J.BIOL.CHEM. V. 277 26779 2002
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IWE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1LON - HDA C3 H5 N O4 C(C(=O)O)N....
3 1MF0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2DGN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1LOO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 1MEZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1LNY - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IWE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1LON - HDA C3 H5 N O4 C(C(=O)O)N....
3 1MF0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2DGN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1LOO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 1MEZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1LNY - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HOO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1NHT - HDA C3 H5 N O4 C(C(=O)O)N....
3 1GIM - HDA C3 H5 N O4 C(C(=O)O)N....
4 1CIB - HDA C3 H5 N O4 C(C(=O)O)N....
5 1QF4 ic50 = 0.665 uM RPD C13 H22 N3 O13 P C(C[C@H](C....
6 1CH8 - HDA C3 H5 N O4 C(C(=O)O)N....
7 1CG0 - HDA C3 H5 N O4 C(C(=O)O)N....
8 1CG1 - HDA C3 H5 N O4 C(C(=O)O)N....
9 2GCQ Ki = 17 uM HDA C3 H5 N O4 C(C(=O)O)N....
10 1HON - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
11 1CG4 - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
12 1CG3 - HDA C3 H5 N O4 C(C(=O)O)N....
13 1QF5 ic50 = 0.043 uM RPL C13 H22 N3 O13 P C(C[C@@H](....
14 1HOP - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
15 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 1P9B - HDA C3 H5 N O4 C(C(=O)O)N....
17 1IWE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
18 1LON - HDA C3 H5 N O4 C(C(=O)O)N....
19 1MF0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2DGN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1LOO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 1MEZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1LNY - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2SA; Similar ligands found: 134
No: Ligand ECFP6 Tc MDL keys Tc
1 2SA 1 1
2 6IA 0.622222 0.851852
3 6C6 0.611111 0.896104
4 6K6 0.56701 0.893333
5 A 0.564706 0.905405
6 AMP 0.564706 0.905405
7 IMO 0.545455 0.891892
8 AMO 0.5 0.972973
9 PGS 0.5 0.85
10 ADP 0.494624 0.932432
11 7MC 0.491228 0.878049
12 CA0 0.484211 0.933333
13 ITT 0.484211 0.905405
14 71V 0.483871 0.85
15 ATP 0.479167 0.932432
16 A2D 0.478261 0.906667
17 ABM 0.478261 0.857143
18 7MD 0.477477 0.9
19 C2R 0.477273 0.893333
20 25A 0.475728 0.906667
21 AQP 0.474227 0.932432
22 5FA 0.474227 0.932432
23 4AD 0.471154 0.96
24 6MD 0.470588 0.776316
25 5AL 0.47 0.92
26 AU1 0.46875 0.907895
27 BA3 0.468085 0.906667
28 AP2 0.468085 0.921053
29 A12 0.468085 0.921053
30 AMP MG 0.467391 0.833333
31 PTJ 0.46729 0.886076
32 TXA 0.46729 0.921053
33 N6P 0.466667 0.878378
34 AHX 0.466667 0.910256
35 AP5 0.463158 0.906667
36 B4P 0.463158 0.906667
37 JLN 0.462366 0.905405
38 SRP 0.460784 0.946667
39 AMZ 0.460674 0.88
40 TAT 0.46 0.896104
41 APC 0.459184 0.921053
42 AN2 0.458333 0.92
43 SRA 0.456522 0.858974
44 TT8 0.456311 0.7625
45 NB8 0.453704 0.935065
46 M33 0.453608 0.894737
47 ADX 0.453608 0.819277
48 XAH 0.45045 0.853659
49 50T 0.44898 0.894737
50 ACP 0.44898 0.933333
51 8QN 0.447619 0.92
52 FAI 0.446809 0.88
53 ANP 0.445545 0.907895
54 ACQ 0.445545 0.933333
55 GAP 0.445545 0.883117
56 PRX 0.444444 0.835443
57 AR6 0.444444 0.932432
58 WAQ 0.444444 0.897436
59 APR 0.444444 0.932432
60 PAJ 0.443396 0.875
61 DSZ 0.443396 0.835294
62 SON 0.443299 0.946667
63 AD9 0.44 0.907895
64 ADV 0.44 0.921053
65 RBY 0.44 0.921053
66 AGS 0.44 0.884615
67 SAP 0.44 0.884615
68 DLL 0.439252 0.92
69 ADP MG 0.438776 0.846154
70 A22 0.438095 0.92
71 DAL AMP 0.438095 0.894737
72 AIR 0.436782 0.84
73 7RP 0.43617 0.890411
74 NIA 0.434783 0.771084
75 BEF ADP 0.434343 0.825
76 ADP BEF 0.434343 0.825
77 OOB 0.433962 0.92
78 IOT 0.433333 0.86747
79 PR8 0.431193 0.8875
80 LAD 0.431193 0.898734
81 1RB 0.430108 0.849315
82 FYA 0.427273 0.894737
83 ME8 0.427273 0.876543
84 00A 0.425926 0.873418
85 ARU 0.425926 0.829268
86 ADP PO3 0.425743 0.88
87 MAP 0.424528 0.884615
88 25L 0.423423 0.92
89 ATF 0.423077 0.896104
90 OAD 0.422018 0.933333
91 3UK 0.422018 0.907895
92 ATP MG 0.421569 0.846154
93 ANP MG 0.419048 0.8375
94 AAM 0.416667 0.905405
95 RMB 0.416667 0.837838
96 ADQ 0.416667 0.907895
97 P2P 0.416667 0.866667
98 7RA 0.416667 0.893333
99 FA5 0.415929 0.946667
100 YAP 0.415929 0.934211
101 48N 0.415254 0.910256
102 3OD 0.414414 0.933333
103 JB6 0.414414 0.85
104 1ZZ 0.414414 0.831325
105 TSB 0.411215 0.790698
106 RBZ 0.410526 0.815789
107 G 0.41 0.871795
108 5GP 0.41 0.871795
109 A5A 0.409524 0.77907
110 ALF ADP 0.409524 0.814815
111 ADP ALF 0.409524 0.814815
112 A2P 0.408163 0.891892
113 5SV 0.407407 0.795181
114 9SN 0.40708 0.8625
115 RVP 0.406593 0.815789
116 5X8 0.405941 0.802632
117 VO4 ADP 0.40566 0.87013
118 ADP VO4 0.40566 0.87013
119 SSA 0.40566 0.813953
120 GSU 0.405405 0.813953
121 IMP 0.40404 0.894737
122 NSS 0.40367 0.813953
123 A1R 0.40367 0.897436
124 YLP 0.403361 0.855422
125 54H 0.401869 0.761364
126 VMS 0.401869 0.761364
127 GUO 0.401869 0.857143
128 52H 0.401869 0.752809
129 1PR 0.401786 0.8375
130 BIS 0.401786 0.873418
131 6AD 0.4 0.851852
132 93A 0.4 0.821429
133 36A 0.4 0.717647
134 TYR AMP 0.4 0.896104
Ligand no: 2; Ligand: GDP; Similar ligands found: 153
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 GNP 0.839506 0.973684
6 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IWE; Ligand: IMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1iwe.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1IWE; Ligand: IMP; Similar sites found: 243
This union binding pocket(no: 2) in the query (biounit: 1iwe.bio1) has 89 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OHY ANP 0.01982 0.42397 1.16009
2 1AZT GSP 0.0003536 0.49364 1.24378
3 1TQ4 GDP 0.0004716 0.5138 1.45278
4 5IRR GSP 0.009709 0.44457 1.62338
5 1JWY GDP 0.0002098 0.54619 1.75055
6 1OYY AGS 0.004541 0.48792 1.75055
7 5LTJ ADP 0.0423 0.42934 1.75055
8 5CK5 GDP 0.0002512 0.56534 1.89873
9 2ZFI ADP 0.03077 0.44065 1.91257
10 2I4I AMP 0.01451 0.44491 1.91847
11 4ZKD GDP 0.0003959 0.49821 1.96937
12 3LRE ADP 0.04668 0.43506 1.97183
13 1ZJ6 G3D 0.00005161 0.59102 2.13904
14 2NCD ADP 0.0498 0.43632 2.14286
15 4ZNL BEF ADP 0.0159 0.45317 2.18978
16 1VHT BA3 0.008893 0.46329 2.29358
17 5AHO TLA 0.03328 0.43842 2.38095
18 4PX9 ADP 0.002282 0.50999 2.39726
19 1G7S GDP 0.0002181 0.55639 2.407
20 4A4Z ANP 0.004288 0.48932 2.407
21 3BER AMP 0.009784 0.46902 2.40964
22 4H1V GNP 0.0009411 0.50704 2.43902
23 1TAD ALF 0.0005234 0.48598 2.46914
24 3MD0 GDP 0.0005818 0.54428 2.53521
25 4M9Q GNP 0.0001598 0.5329 2.64317
26 1ZD9 GDP 0.000968 0.50214 2.65957
27 3TK1 GDP 0.0003665 0.56245 2.72727
28 1GOJ ADP 0.02104 0.45347 2.8169
29 5KSZ GCP 0.001266 0.50927 2.83019
30 1WDT GTP 0.00024 0.53317 2.84464
31 2ZR9 DTP 0.04726 0.42991 2.86533
32 2C78 GNP 0.00005949 0.55413 2.96296
33 3TKL GTP 0.0004564 0.50255 2.99625
34 1YRB GDP 0.000531 0.52475 3.05344
35 4AG5 ADP 0.04982 0.43716 3.06122
36 2GK6 ADP 0.01144 0.47405 3.06346
37 1G6H ADP 0.01147 0.47192 3.11284
38 4TMZ GSP 0.0001932 0.52453 3.18841
39 3SBD GNP 0.001606 0.47313 3.20856
40 3VX3 ADP 0.02148 0.43295 3.22581
41 4DKX GDP 0.0001486 0.57187 3.24074
42 4LPS GDP 0.001263 0.51419 3.30579
43 1S8F GDP 0.002202 0.46071 3.38983
44 4BQS ADP 0.02567 0.44516 3.40909
45 2ZJ5 ADP 0.02161 0.45954 3.50109
46 3EZ2 ADP 0.009478 0.4742 3.51759
47 4LC1 GDP 0.00179 0.51079 3.56083
48 5E95 GDP 0.0007867 0.5111 3.57143
49 5JCP GDP ALF 0.0009218 0.5075 3.57995
50 1WQ1 GDP 0.001513 0.48104 3.61446
51 1V8K ANP 0.03583 0.43685 3.65854
52 3WYA GDP 0.00004665 0.60028 3.68664
53 3WY9 GDP 0.00006505 0.59922 3.68664
54 3N5C GDP 0.00009711 0.58229 3.7037
55 3PCR GTP 0.0005144 0.50384 3.7037
56 5FJJ MAN 0.0008459 0.48857 3.71991
57 4DCT GDP 0.0001718 0.56212 3.72807
58 5GOE GDP 0.0003603 0.53887 3.79147
59 1FP6 ADP 0.01518 0.44715 3.80623
60 3BY9 SIN 0.008691 0.48141 3.84615
61 4P4T GDP 0.0002619 0.53123 3.88889
62 2Y8E GNP 0.0005326 0.49572 3.91061
63 2AWN ADP 0.01142 0.47157 3.93701
64 5HCN GCP 0.0007883 0.52552 3.93873
65 2HF9 GSP 0.0007805 0.51128 3.9823
66 2F9L GDP 0.002682 0.46893 4.0201
67 4R98 GNH 0.000769 0.53152 4.05904
68 4J0Q GDP 0.00003 0.61863 4.15704
69 2OG2 MLI 0.0377 0.41794 4.17827
70 3G2Y GF4 0.01142 0.46454 4.18251
71 2A5J GDP 0.0005078 0.53079 4.18848
72 5KDO GDP 0.0003609 0.51965 4.18994
73 3Q9L ATP 0.007156 0.461 4.23077
74 1YZN GNP 0.0009104 0.48144 4.32432
75 3AQ4 GDP 0.00009458 0.57647 4.34783
76 3B7G ANP 0.003267 0.49133 4.34783
77 1Y63 ADP 0.02205 0.44893 4.34783
78 4B47 GDP 0.00004896 0.60635 4.40771
79 1CS4 GSP 0.0003706 0.49607 4.44444
80 3R5W F42 0.04135 0.41815 4.46429
81 5JCZ GDP 0.003757 0.47194 4.46927
82 4GOX A3P 0.04562 0.4086 4.47284
83 5UQW GDP 0.0009277 0.4878 4.59519
84 4YLG GDP 0.0003819 0.52747 4.62428
85 2C5L GTP 0.0007391 0.48564 4.62428
86 2CBZ ATP 0.04766 0.43924 4.64135
87 1Z06 GNP 0.0001414 0.5269 4.7619
88 1D2E GDP 0.0002041 0.54682 4.78589
89 1WA5 GTP 0.001068 0.46628 4.814
90 4PJ3 ANP 0.007252 0.46431 4.814
91 4RD0 GDP 0.00007719 0.54854 4.81928
92 2J59 GTP 0.0002581 0.51842 4.81928
93 1O3Y GTP 0.000274 0.51715 4.81928
94 2QN6 GDP 0.00002067 0.62797 4.83092
95 2BCG GDP 0.002235 0.48351 4.85437
96 1GOT GDP 0.0006932 0.50137 4.85714
97 2FH5 GTP 0.0001024 0.54718 4.86486
98 1S9D GDP 0.0001416 0.56678 4.87805
99 2OBM ADP 0.02352 0.45908 4.89914
100 3B9Q MLI 0.0368 0.42262 4.96689
101 2EFE GNH 0.0007557 0.51659 4.97238
102 4V03 ADP 0.003862 0.48298 5.05837
103 5L3R GCP 0.00004409 0.55113 5.11945
104 1H65 GDP 0.007976 0.44881 5.18518
105 1QO0 BMD 0.02476 0.44904 5.19481
106 5L3W GDP 0.000008172 0.62801 5.22876
107 4HI0 GDP 0.001023 0.49686 5.28302
108 5FTB ANP 0.02694 0.43698 5.31178
109 1Z2A GDP 0.0004742 0.50556 5.35714
110 4PPF FLC 0.02187 0.45147 5.42857
111 1FQK GDP 0.000294 0.51567 5.44218
112 2WIC GNP 0.000105 0.57396 5.61798
113 1X1R GDP 0.001179 0.47622 5.61798
114 2IYL GDP 0.000001606 0.68293 5.6338
115 1RJ9 GCP 0.0005134 0.45205 5.66667
116 2ODE ALF GDP 0.0004196 0.4903 5.67376
117 5MZN ADP 0.04351 0.43935 5.68928
118 2C04 GCP 0.00008011 0.56287 5.72391
119 1SKQ GDP 0.00005288 0.60442 5.74713
120 1GRN GDP 0.003003 0.48072 5.75916
121 2WMO GTP 0.0004106 0.53579 5.78947
122 2GJ8 ALF GDP 0.0003363 0.50149 5.81395
123 3T34 GDP 0.0003704 0.51078 5.83333
124 4CVN ADP 0.0277 0.45114 5.83942
125 3U6B GDP 0.00002115 0.6274 5.9081
126 5JBQ GDP 0.00003152 0.6099 5.9081
127 4G5G GDP 0.00003831 0.60511 5.9081
128 3U6K GDP 0.00004139 0.60322 5.9081
129 2BVN GNP 0.00004802 0.58023 5.9081
130 1IHU AF3 0.0119 0.44018 5.9081
131 1IHU ADP 0.01421 0.43358 5.9081
132 1MH1 GNP 0.001413 0.47258 5.91398
133 4DID GDP 0.001549 0.50928 5.92105
134 1G4U GDP 0.002556 0.48052 5.97826
135 3CNL GNP 0.00003211 0.61693 6.10687
136 3DDC GNP 0.0007093 0.48646 6.13497
137 3DOE GTP 0.0001886 0.52505 6.25
138 1NF3 GNP 0.00185 0.47023 6.25
139 1HE1 GDP 0.005081 0.46179 6.25
140 4D0G GTP 0.0003491 0.51611 6.28571
141 3NKV GNP 0.0006813 0.49068 6.28571
142 5KSP GDP 0.008154 0.4693 6.31579
143 4YS0 ADP 0.005978 0.46509 6.34573
144 5L3V GDP 0.000008646 0.62668 6.35452
145 5L3S GNP 0.00008425 0.53767 6.37584
146 4PC3 GDP 0.0002323 0.54383 6.38298
147 4CQK PIO 0.04563 0.44121 6.38298
148 1Z08 GNP 0.0007966 0.4946 6.47059
149 1YVD GNP 0.0008037 0.4873 6.50888
150 5LB3 ADP 0.004286 0.49416 6.51685
151 1M7B GTP 0.0006835 0.50569 6.52174
152 1QHH ATP 0.01124 0.46156 6.58683
153 3REF GDP 0.001348 0.48707 6.70103
154 1LR8 IHS 0.02805 0.43987 6.75676
155 1E96 GTP 0.001687 0.47213 6.89655
156 5M04 GDP 0.0001559 0.5773 6.94444
157 1R2Q GNP 0.001565 0.45133 7.05882
158 3MJH GTP 0.0005389 0.49548 7.14286
159 3PQC GDP 0.0007157 0.52271 7.17949
160 4HDO GNP 0.0005013 0.49346 7.18563
161 3X1Z GNP 0.0005212 0.48931 7.18563
162 1YTM ATP 0.01638 0.43609 7.22101
163 3W5J GDP 0.0001241 0.59307 7.35294
164 1G7C 5GP 0.0007707 0.53147 7.44681
165 1I4D GDP 0.0005476 0.5458 7.58929
166 5J1J ANP 0.008247 0.44514 7.7193
167 1U8Z GDP 0.000254 0.51876 7.7381
168 3A1S GDP 0.000396 0.54206 7.75194
169 3LXR GDP 0.001429 0.50641 8.10811
170 4RZ3 ADP 0.01489 0.44432 8.13559
171 1EK0 GNP 0.001844 0.4703 8.23529
172 4XSH GSP 0.0006527 0.51091 8.37989
173 1TX4 ALF GDP 0.0006385 0.49928 8.47458
174 1Z0J GTP 0.0009629 0.48031 8.47458
175 5DI3 GNP 0.0001272 0.5378 8.64865
176 4GBM A3P 0.04918 0.40698 8.66873
177 1W4R TTP 0.0224 0.41451 8.71795
178 3DC4 ADP 0.01726 0.46342 8.72093
179 2CJW GDP 0.0001419 0.57299 8.85417
180 1A4R GNH 0.0008364 0.50971 8.90052
181 1A4R GDP 0.001042 0.50049 8.90052
182 4ZI2 GNP 0.0002284 0.52523 9.02256
183 2W83 GTP 0.0002285 0.52099 9.09091
184 1FQJ GDP 0.0002841 0.51639 9.52381
185 3T12 GDP ALF 0.00004391 0.56066 9.55882
186 3BFV ADP 0.001266 0.51929 9.5941
187 2BEK ATP 0.04179 0.41286 9.72763
188 1GP2 GDP 0.000744 0.49604 9.85915
189 2BES RES 0.0478 0.42633 9.88372
190 2WKQ GTP 0.000913 0.49172 10.241
191 5EE5 GTP 0.0005122 0.50787 10.3286
192 3CX8 GSP 0.0003035 0.49663 10.3448
193 3QBT GNP 0.0005614 0.49464 10.3448
194 4NON GDP 0.006591 0.43893 10.3846
195 5WDR GNP 0.0006308 0.48883 10.5263
196 2G77 GDP 0.0001785 0.54471 10.6061
197 2V7Q ATP 0.02541 0.43838 10.9589
198 4V0K GDP 0.001067 0.4849 11.2426
199 5TB5 GDP 0.0002933 0.54371 11.3514
200 5TAR GDP 0.0004359 0.5293 11.3514
201 2PL3 ADP 0.0015 0.52052 11.4407
202 2X77 GDP 0.0001907 0.55962 12.1693
203 3KUD GDP 0.0007263 0.50436 12.3457
204 1GUA GNP 0.000521 0.49268 12.3457
205 5O2T GSP 0.0009063 0.48153 12.426
206 4XTR ADP 0.01003 0.45003 12.4294
207 4XTR ATP 0.0174 0.42927 12.4294
208 4XVU ATP 0.02095 0.42532 12.4294
209 2WOJ ADP ALF 0.02263 0.41651 12.4294
210 3ZS9 ADP ALF 0.03185 0.40953 12.4294
211 5UFQ GNP 0.0008789 0.48547 12.6506
212 1JJ7 ADP 0.02846 0.4487 12.6923
213 2XTN GTP 0.003227 0.46502 12.8205
214 3DEF GDP 0.004981 0.47301 12.9771
215 1GXU 2HP 0.009467 0.46402 13.1868
216 2WJG GDP 0.00005612 0.59575 13.2979
217 1G3Q ADP 0.001296 0.51357 13.5021
218 4XOI GTP 0.001062 0.48499 14.4444
219 5UWQ GNP 0.0003981 0.4981 16.0338
220 5DIF GNP 0.000434 0.49636 16.0338
221 5UWW GNP 0.0004409 0.49604 16.0338
222 5UWR GNP 0.0004465 0.49579 16.0338
223 5DHF GNP 0.0004464 0.49579 16.0338
224 5UWO GNP 0.0004519 0.49555 16.0338
225 5UWU GNP 0.0004619 0.4951 16.0338
226 5UWH GNP 0.0004669 0.49489 16.0338
227 5UWI GNP 0.0004695 0.49478 16.0338
228 5UWJ GNP 0.0005337 0.49219 16.0338
229 5UWS GNP 0.0006146 0.48604 16.0338
230 5DI9 GNP 0.0006174 0.48595 16.0338
231 2OM2 GDP 0.000535 0.51104 16.6667
232 3GJ7 GDP 0.0002037 0.56412 17.1946
233 3GJ4 GDP 0.0002099 0.56339 17.1946
234 3GJ0 GDP 0.0002275 0.56141 17.1946
235 3GJ8 GDP 0.0003602 0.54434 17.1946
236 2W58 ADP 0.01907 0.46289 17.3267
237 1Z0K GTP 0.0003125 0.51438 17.3913
238 1IBR GNP 0.0005529 0.49148 17.5926
239 1J2J GTP 0.0003851 0.50996 17.7778
240 4WOP CTP 0.006786 0.45545 20
241 4LHW GNP 0.001112 0.48066 21.8391
242 3WYG GTP 0.0005297 0.48899 25
243 5UWP GNP 0.0005748 0.48736 36.8421
Pocket No.: 3; Query (leader) PDB : 1IWE; Ligand: IMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1iwe.bio1) has 73 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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