Receptor
PDB id Resolution Class Description Source Keywords
5I34 1.53 Å EC: 6.3.4.4 ADENYLOSUCCINATE SYNTHETASE FROM CRYPTOCOCCUS NEOFORMANS COM WITH GDP AND IMP CRYPTOCOCCUS NEOFORMANS VAR. GRUBII SE(STRAIN H99 / ATCC 208821 / CBS 10515 / FGSC 9487) DIMER ADENYLOSUCCINATE SYNTHETASE PURINE METABOLISM LIGAS
Ref.: DISRUPTION OF DE NOVO ADENOSINE TRIPHOSPHATE (ATP) BIOSYNTHESIS ABOLISHES VIRULENCE IN CRYPTOCOCCUS NE ACS INFECT DIS. V. 2 651 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:502;
B:502;
Valid;
Valid;
none;
none;
submit data
348.206 C10 H13 N4 O8 P c1nc2...
GDP B:501;
A:501;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I34 1.53 Å EC: 6.3.4.4 ADENYLOSUCCINATE SYNTHETASE FROM CRYPTOCOCCUS NEOFORMANS COM WITH GDP AND IMP CRYPTOCOCCUS NEOFORMANS VAR. GRUBII SE(STRAIN H99 / ATCC 208821 / CBS 10515 / FGSC 9487) DIMER ADENYLOSUCCINATE SYNTHETASE PURINE METABOLISM LIGAS
Ref.: DISRUPTION OF DE NOVO ADENOSINE TRIPHOSPHATE (ATP) BIOSYNTHESIS ABOLISHES VIRULENCE IN CRYPTOCOCCUS NE ACS INFECT DIS. V. 2 651 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
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: IMP; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 NOS 0.724638 0.835616
4 5GP 0.609756 0.972603
5 G 0.609756 0.972603
6 DI 0.578313 0.92
7 SIB 0.549451 0.772152
8 93A 0.523256 0.841463
9 GDP 0.505495 0.959459
10 GP3 0.494505 0.934211
11 C2R 0.493827 0.891892
12 GTP 0.489362 0.959459
13 GP2 0.48913 0.922078
14 GNH 0.483871 0.946667
15 G2P 0.479167 0.922078
16 AMZ 0.47561 0.90411
17 SNI 0.475 0.8
18 GMV 0.473684 0.934211
19 GAV 0.469388 0.922078
20 G1R 0.46875 0.946667
21 GCP 0.46875 0.934211
22 AIR 0.468354 0.888889
23 NIA 0.464286 0.835443
24 GNP 0.463918 0.934211
25 GSP 0.463918 0.910256
26 GDP MG 0.463158 0.909091
27 A 0.458824 0.90411
28 1RB 0.458824 0.847222
29 AMP 0.458824 0.90411
30 ALF 5GP 0.458333 0.875
31 GDP BEF 0.458333 0.886076
32 6SW 0.456522 0.930556
33 RBZ 0.453488 0.837838
34 GPG 0.45098 0.922078
35 7RP 0.448276 0.888889
36 GDC 0.447619 0.922078
37 GDD 0.447619 0.922078
38 GKE 0.447619 0.922078
39 GTP MG 0.444444 0.909091
40 BEF GDP 0.444444 0.875
41 7RA 0.443182 0.891892
42 IMO 0.443182 0.890411
43 JLN 0.443182 0.90411
44 AAM 0.443182 0.90411
45 P2P 0.443182 0.864865
46 RMB 0.443182 0.835616
47 FAI 0.443182 0.90411
48 G2R 0.441176 0.922078
49 GCP G 0.44 0.921053
50 G7M 0.43956 0.934211
51 XMP 0.438202 0.932432
52 IRN 0.435897 0.830986
53 Y9Z 0.433962 0.865854
54 PMO 0.433333 0.813333
55 71V 0.433333 0.825
56 GDP AF3 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 GKD 0.431193 0.922078
59 JB2 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 G G 0.419048 0.921053
68 RVP 0.416667 0.837838
69 GTG 0.416667 0.898734
70 GDX 0.414414 0.934211
71 GUO 0.41 0.931507
72 GMP 0.406977 0.84
73 U2G 0.405172 0.898734
74 2SA 0.40404 0.894737
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
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 : 5I34; Ligand: GDP; 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: 5i34.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5I34; Ligand: GDP; Similar sites found: 389
This union binding pocket(no: 2) in the query (biounit: 5i34.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DCT GDP 0.00002116 0.52204 1.36054
2 4RD0 GDP 0.0000109 0.55224 1.44578
3 2FSH ANP 0.002996 0.43326 1.5873
4 1OS1 ATP 0.01922 0.40646 1.5873
5 1OS1 PYR 0.02039 0.40646 1.5873
6 3EC1 GDP 0.00002203 0.52123 1.62602
7 1TL2 NDG 0.01688 0.40128 1.69492
8 1AZT GSP 0.0000181 0.42475 1.74129
9 5FJJ MAN 0.02622 0.41509 1.81406
10 1XKV ATP 0.004802 0.40771 1.81406
11 4J0Q GDP 0.000001088 0.59911 1.84758
12 1YRB GDP 0.00005536 0.50872 1.9084
13 2RCN GDP 0.000006259 0.55412 1.95531
14 1SVK ALF GDP 0.000008948 0.42634 1.983
15 1WF3 GNP 0.00001199 0.4366 1.99336
16 4RZ3 ADP 0.001729 0.44156 2.0339
17 1WDT GTP 0.00007608 0.46066 2.04082
18 1SVI GDP 0.00002665 0.53216 2.05128
19 1Y3A GDP 0.00002466 0.45159 2.12766
20 2OM2 GDP 0.00001471 0.47556 2.15385
21 1YZN GNP 0.0000907 0.41272 2.16216
22 4H1V GNP 0.00003234 0.48264 2.16802
23 4ZNL BEF ADP 0.001965 0.43192 2.18978
24 1ZCB GDP 0.00002179 0.54462 2.20994
25 5M04 GDP 0.000006345 0.5622 2.22222
26 1BH2 GSP 0.00002533 0.41974 2.22222
27 1H65 GDP 0.0007856 0.40507 2.22222
28 1GOJ ADP 0.001972 0.45605 2.25352
29 1DAR GDP 0.00000869 0.54742 2.26757
30 4YS0 ADP 0.001113 0.42034 2.26757
31 2GK6 ADP 0.002244 0.41264 2.26757
32 1SKQ GDP 0.000001686 0.54921 2.29885
33 1Z08 GNP 0.00006448 0.43823 2.35294
34 3TK1 GDP 0.00007905 0.47286 2.42424
35 3E70 GDP 0.0000000115 0.67151 2.43902
36 3DKP ADP 0.000217 0.46715 2.44898
37 2C77 GNP 0.000006186 0.56136 2.46914
38 2C78 GNP 0.000004439 0.48309 2.46914
39 4A4Z ANP 0.0008833 0.45317 2.49433
40 1D2E GDP 0.00001207 0.50948 2.51889
41 4PPF FLC 0.01131 0.41456 2.57143
42 3H86 AP5 0.03361 0.40019 2.60417
43 5KUT GDP 0.00009082 0.49307 2.6455
44 1ZJ6 G3D 0.000002428 0.56509 2.6738
45 2BME GNP 0.00009688 0.51337 2.68817
46 5HR5 ADP 0.01164 0.40276 2.72109
47 2B8W ALF 5GP 0.003088 0.43917 2.7439
48 3KJI ADP 0.009868 0.43131 2.75591
49 2EFE GNH 0.00002489 0.52484 2.76243
50 4TTQ ATP 0.001298 0.43327 2.7907
51 1NJF ADP 0.004696 0.42325 2.8
52 1NJF AGS 0.006499 0.42027 2.8
53 1PUJ GNP 0.000009314 0.51156 2.83688
54 1Z0A GDP 0.00001869 0.51164 2.87356
55 2I4I AMP 0.0005597 0.42965 2.8777
56 3P4X ADP 0.0003161 0.45194 2.90557
57 2XT3 ADP 0.003965 0.43618 2.90698
58 3A06 FOM 0.03283 0.40377 2.92553
59 3A06 NDP 0.02997 0.40377 2.92553
60 5L3W GDP 0.0000000335 0.6543 2.94118
61 1R2Q GNP 0.00005911 0.53768 2.94118
62 3VMF GTP 0.00006973 0.42738 2.95455
63 1MKY GDP 0.000001452 0.58392 2.96128
64 3A4M ADP 0.00187 0.41004 3.07692
65 5GOE GDP 0.00001785 0.51299 3.08057
66 3GJ3 GDP 0.00002896 0.52287 3.16742
67 3GJ0 GDP 0.00003232 0.52064 3.16742
68 3GJ7 GDP 0.00004456 0.51409 3.16742
69 3GJ5 GDP 0.00004381 0.50757 3.16742
70 3GJ4 GDP 0.0000384 0.50181 3.16742
71 1KK1 GNP 0.0000004339 0.57254 3.17073
72 1G7S GDP 0.00001418 0.53 3.1746
73 2ZJ5 ADP 0.00147 0.45795 3.1746
74 1OYY AGS 0.002179 0.43474 3.1746
75 5MZN ADP 0.004589 0.42944 3.1746
76 4TMZ GSP 0.00003255 0.53193 3.18841
77 1IBR GNP 0.0000429 0.53243 3.24074
78 3GJX GTP 0.00005178 0.52847 3.24074
79 3AB3 GDP 0.000008024 0.55602 3.25203
80 2IXE ATP 0.01601 0.40156 3.32103
81 5JCP GDP ALF 0.0009806 0.42412 3.34129
82 1Z0F GDP 0.0000248 0.51888 3.35196
83 4LZB URA 0.01556 0.40966 3.36134
84 2C04 GCP 0.00000008959 0.57921 3.367
85 3LRE ADP 0.003539 0.44157 3.38028
86 2XTZ GSP 0.00001812 0.43993 3.38983
87 4BQS ADP 0.003985 0.42241 3.40909
88 5MEX SZZ 0.02897 0.40654 3.41615
89 5MEX PAP 0.01062 0.40654 3.41615
90 4D0G GTP 0.00002826 0.53257 3.42857
91 3MGB PAP 0.003872 0.42913 3.44828
92 3WXM GTP 0.00009347 0.51412 3.45745
93 4NON GDP 0.00008085 0.40655 3.46154
94 1G16 GDP 0.0006168 0.46893 3.52941
95 1LVG ADP 0.002054 0.44676 3.53535
96 5KSZ GCP 0.001282 0.43344 3.53774
97 4LC1 GDP 0.0003079 0.47467 3.56083
98 1IHU AF3 0.0006586 0.40544 3.56537
99 1SQ5 ADP 0.006065 0.40947 3.57143
100 3NHB ADP 0.01885 0.40094 3.59477
101 2IS6 ADP 0.003911 0.41131 3.62812
102 1TQ4 GDP 0.00001126 0.48009 3.63196
103 3B9Q MLI 0.0008424 0.45957 3.64238
104 1W0J ADP 0.002822 0.4127 3.67647
105 4MKF AP5 0.008611 0.43634 3.68664
106 1ZIN AP5 0.01484 0.42331 3.68664
107 4DKX GDP 0.00001102 0.54258 3.7037
108 5L3R GCP 0.0000001191 0.51256 3.75427
109 1FP6 ADP 0.002077 0.43562 3.80623
110 3FWY ADP 0.00037 0.47285 3.82166
111 5UWP GNP 0.00004027 0.53569 3.85488
112 5UWI GNP 0.00003752 0.53525 3.85488
113 5UWT GNP 0.0000427 0.53253 3.85488
114 4HAT GNP 0.00005138 0.53054 3.85488
115 5UWU GNP 0.00003615 0.42494 3.85488
116 5UWH GNP 0.00003288 0.42474 3.85488
117 5UWQ GNP 0.00003469 0.42454 3.85488
118 5DIF GNP 0.00003713 0.4245 3.85488
119 5UWO GNP 0.0000408 0.42362 3.85488
120 5UWW GNP 0.00003913 0.42319 3.85488
121 5UWJ GNP 0.00004219 0.42264 3.85488
122 5UWR GNP 0.00004087 0.42218 3.85488
123 5UWS GNP 0.00003993 0.41833 3.85488
124 2IYL GDP 0.000000004665 0.67231 3.87324
125 3H4S ADP 0.00419 0.43634 3.88601
126 3IIJ ADP 0.001559 0.44158 3.88889
127 3WY9 GDP 0.000003338 0.57565 3.91705
128 3WYA GDP 0.000002627 0.55284 3.91705
129 3W5J GDP 0.00002158 0.55064 3.92157
130 3CX8 GSP 0.00001266 0.5621 3.94089
131 3IUY AMP 0.0007486 0.44355 3.94737
132 1S8F GDP 0.00006596 0.41179 3.9548
133 4ZKD GDP 0.00004847 0.52986 4.08163
134 4PX9 ADP 0.0002415 0.48601 4.10959
135 1VKJ A3P 0.00821 0.41366 4.21053
136 5J1J ANP 0.0005799 0.40276 4.21053
137 5UQW GDP 0.00003617 0.53192 4.2328
138 4DSU GDP 0.00003915 0.42378 4.2328
139 4R2I ANP 0.0179 0.40001 4.28571
140 2QN6 GDP 0.0000009427 0.60212 4.30108
141 3N5C GDP 0.000004797 0.55954 4.32099
142 3PCR GTP 0.00001281 0.46213 4.32099
143 2OBM ADP 0.001139 0.46936 4.32277
144 3GJ8 GDP 0.00003833 0.51022 4.34783
145 1JJV ATP 0.0001279 0.51259 4.36893
146 4E03 ADP 0.0002101 0.4764 4.36893
147 5L4S 6KX 0.02426 0.41145 4.40252
148 5L4S NAP 0.02426 0.41145 4.40252
149 2HF9 GSP 0.00001292 0.44141 4.42478
150 2Y8E GNP 0.00004953 0.4254 4.46927
151 4GOX A3P 0.002734 0.43998 4.47284
152 3CPJ GDP 0.00002881 0.52189 4.4843
153 2DPY ADP 0.005886 0.42407 4.56621
154 1G3Q ADP 0.0001625 0.48151 4.64135
155 2CBZ ATP 0.004377 0.43943 4.64135
156 2FFQ GSP 0.00002835 0.42986 4.67836
157 4K81 GTP 0.000142 0.40605 4.67836
158 2CJW GDP 0.000005437 0.55699 4.6875
159 1YZQ GNP 0.0000475 0.4227 4.70588
160 3Q85 GNP 0.000007765 0.53164 4.73373
161 1M7G ADX 0.02075 0.40731 4.73934
162 1M7G ADP 0.02041 0.40644 4.73934
163 1M7G AV2 0.004375 0.40449 4.73934
164 5E95 GDP 0.00007052 0.46743 4.7619
165 5LB3 ADP 0.0008842 0.45883 4.7619
166 1U8Z GDP 0.00002494 0.44982 4.7619
167 2PZE ATP 0.01777 0.40419 4.80349
168 1NVU GTP 0.00007149 0.52168 4.81928
169 3BER AMP 0.0009732 0.45119 4.81928
170 1WQ1 GDP 0.00005003 0.44021 4.81928
171 5UFQ GNP 0.00003513 0.42954 4.81928
172 1NVV GNP 0.00008187 0.41113 4.81928
173 2WKQ GTP 0.0008596 0.40297 4.81928
174 2W83 GTP 0.00001598 0.54669 4.84848
175 5DI3 GNP 0.000004913 0.48358 4.86486
176 5SZH GNP 0.00007789 0.51988 4.92611
177 1D5C GDP 0.00001546 0.49333 4.93827
178 1ION ADP 0.0003493 0.45647 4.93827
179 2Z5F A3P 0.004614 0.42553 5.03356
180 1F6B GDP 0.00001173 0.53377 5.05051
181 3E5H GNP 0.0001039 0.42233 5.05618
182 5CK5 GDP 0.0000165 0.50929 5.06329
183 1V8K ANP 0.009045 0.40564 5.12195
184 2FH5 GTP 0.00001731 0.47338 5.14019
185 1ZC3 GNP 0.00005494 0.52722 5.14286
186 3IO3 ADP 0.0002623 0.47474 5.17241
187 4YZC STU 0.02026 0.41343 5.18518
188 5KSP GDP 0.0004274 0.46227 5.26316
189 5WRJ A3P 0.002866 0.44073 5.28053
190 4M9Q GNP 0.000004948 0.48446 5.28634
191 1Z0J GTP 0.00006633 0.41575 5.29412
192 3V0H I3P 0.002983 0.4036 5.30973
193 1YVD GNP 0.00006683 0.52115 5.32544
194 3CNL GNP 0.000001222 0.55464 5.34351
195 1Z2A GDP 0.00001616 0.45592 5.35714
196 3RWO GDP 0.0000413 0.53123 5.40541
197 4B47 GDP 0.000001468 0.59284 5.50964
198 5BXQ GDP 0.00002036 0.5228 5.51181
199 1MR3 G3D 0.00002734 0.51694 5.52486
200 1X1R GDP 0.00004389 0.42363 5.61798
201 1IN4 ADP 0.005737 0.41916 5.68862
202 3NKV GNP 0.0000782 0.42239 5.71429
203 1Z06 GNP 0.00001165 0.55554 5.82011
204 5WDR GNP 0.00009913 0.51481 5.84795
205 2HQM FAD 0.03101 0.4105 5.89569
206 3RAB GNP 0.0000666 0.52122 5.91716
207 4JLV ADP 0.0011 0.45426 5.94796
208 2C5L GTP 0.00007659 0.41492 5.98291
209 5TB5 GDP 0.00002388 0.52274 6
210 1UAD GNP 0.00006614 0.52137 6.06061
211 1AQU A3P 0.004841 0.42063 6.06061
212 5TAR GDP 0.000029 0.49222 6.08108
213 3U6B GDP 0.000001248 0.59623 6.09137
214 5JBQ GDP 0.00000175 0.58011 6.09137
215 3U6K GDP 0.000002888 0.56989 6.09137
216 4G5G GDP 0.000002083 0.55695 6.09137
217 1D8T GDP 0.000001685 0.56094 6.10687
218 2BVN GNP 0.000007117 0.51758 6.10687
219 4PJ3 ANP 0.003249 0.40583 6.12245
220 3KUD GDP 0.00004451 0.52085 6.17284
221 2OFW ADX 0.02025 0.41546 6.25
222 3EZ2 ADP 0.001581 0.44666 6.28141
223 1GRN GDP 0.0006513 0.46137 6.28272
224 2NGR GDP 0.0005815 0.45615 6.28272
225 1A4R GNH 0.0008409 0.42655 6.28272
226 4ITR GDP 0.000659 0.42476 6.28272
227 1A4R GDP 0.000668 0.42255 6.28272
228 2A5F GTP 0.00001157 0.45337 6.28571
229 2BCG GDP 0.00006095 0.46119 6.31068
230 1M2O GNP 0.00001318 0.44331 6.31579
231 2X77 GDP 0.00001786 0.52541 6.34921
232 2WJG GDP 0.00000467 0.56009 6.38298
233 1G7C 5GP 0.00002606 0.52503 6.38298
234 1NRJ GTP 0.000008057 0.48446 6.42202
235 5EE5 GTP 0.000032 0.53001 6.43275
236 2W2X GSP 0.0006049 0.41951 6.48649
237 1Y63 ADP 0.002205 0.42287 6.52174
238 3Q9L ATP 0.001066 0.41836 6.53846
239 4R43 GDP 0.002889 0.42898 6.57596
240 3SFV GDP 0.00004449 0.52086 6.62983
241 4YC7 GNP 0.001086 0.45725 6.62983
242 3BC1 GNP 0.0000617 0.52282 6.66667
243 1DS6 GDP 0.0001186 0.48039 6.66667
244 4WOP CTP 0.0009358 0.42895 6.66667
245 5KDO GDP 0.00001714 0.47367 6.75676
246 4HI0 GDP 0.00002133 0.46808 6.79245
247 5E5U MLI 0.02175 0.41823 6.81818
248 1GOT GDP 0.00002749 0.53314 6.84932
249 2VVG ADP 0.002668 0.44735 6.85714
250 3DEF GDP 0.0004431 0.46678 6.87023
251 1LFD GNP 0.00006255 0.42564 6.89655
252 1ZD9 GDP 0.000005708 0.49665 6.91489
253 2GCN GDP 0.0008229 0.46298 6.96517
254 2GCO GNP 0.0008396 0.45622 6.96517
255 2GJ8 ALF GDP 0.00001604 0.43942 6.97674
256 3BFV ADP 0.00009617 0.4984 7.01107
257 4LPS GDP 0.0001335 0.48541 7.02479
258 4M52 FAD 0.0402 0.40463 7.02948
259 3AQ4 GDP 0.000007729 0.54206 7.06522
260 2HCJ GDP 0.000001626 0.5907 7.16418
261 2QTV GNP 0.00001133 0.45335 7.18563
262 1F9V ADP 0.003797 0.43689 7.20461
263 2WJH GDP 0.000005864 0.54755 7.22892
264 2WJH FLC 0.00002746 0.51994 7.22892
265 4DID GDP 0.0003551 0.46596 7.23684
266 4NCN GTP 0.00004097 0.4454 7.25624
267 5TCI MLI 0.01615 0.40473 7.31707
268 3DDC GNP 0.00008622 0.51774 7.36196
269 4R98 GNH 0.00007527 0.5034 7.38007
270 4YLG GDP 0.00001173 0.49557 7.51445
271 4D0N GDP 0.000157 0.4749 7.56757
272 1TU3 GNP 0.00003753 0.53323 7.59494
273 1KMQ GNP 0.001136 0.45822 7.6087
274 2ZEJ GDP 0.00004118 0.42167 7.6087
275 1FQK GDP 0.00002016 0.45513 7.69231
276 1CXZ GSP 0.001249 0.45435 7.69231
277 1TAD GDP 0.000009802 0.43057 7.71605
278 1TAD ALF 0.000009802 0.43057 7.71605
279 3A1S GDP 0.0001964 0.47773 7.75194
280 4V03 ADP 0.000569 0.44743 7.7821
281 1VHT BA3 0.005826 0.41259 7.79817
282 4XSH GSP 0.0005207 0.42852 7.82123
283 2J59 GTP 0.00001299 0.55098 7.83133
284 1O3Y GTP 0.00001823 0.54395 7.83133
285 1J2J GTP 0.00003357 0.44765 7.83133
286 2WIC GNP 0.000007586 0.54243 7.86517
287 1S9D GDP 0.000009401 0.53817 7.92683
288 1RE0 GDP 0.000003764 0.5348 7.92683
289 5FG3 GDP 0.00001111 0.51642 7.93651
290 4KBF AMP 0.0002155 0.4884 7.94521
291 2F9L GDP 0.00005711 0.43834 8.0402
292 2ZPT A3P 0.04084 0.41104 8.13559
293 1KY3 GDP 0.000272 0.47662 8.24176
294 3T5G GDP 0.00002412 0.50712 8.28729
295 3T34 GDP 0.0000004707 0.50794 8.33333
296 1UKZ ADP 0.02684 0.40404 8.37438
297 2A5J GDP 0.00003779 0.49861 8.37696
298 4U5X GNP 0.0002935 0.4799 8.42697
299 3Q72 GNP 0.000005367 0.52936 8.43373
300 1XTQ GDP 0.00002121 0.45374 8.47458
301 1R4A GNP 0.00001818 0.45067 8.48485
302 2J0V GDP 0.000207 0.47668 8.49057
303 1JWY GDP 0.000002334 0.57256 8.61678
304 5TSH ANP 0.006433 0.40233 8.61678
305 4KAX GTP 0.000009445 0.47452 8.69565
306 1Z0K GTP 0.00007271 0.43925 8.69565
307 1FZQ GDP 0.000006341 0.55385 8.83978
308 4PC3 GDP 0.000002767 0.53461 8.86525
309 5JCZ GDP 0.0001924 0.44295 8.93855
310 4LX0 BEF GDP 0.00007458 0.52079 9.03955
311 1E96 GTP 0.0006161 0.47462 9.07029
312 3T1O GDP 0.000005611 0.53479 9.09091
313 2V7Q ATP 0.002089 0.43317 9.09091
314 3B7G ANP 0.0003086 0.46874 9.13043
315 4C4P GNP 0.00004428 0.42211 9.24856
316 1OW3 GDP 0.000584 0.46359 9.32642
317 3ZIA ADP 0.004739 0.41896 9.52381
318 3ZIA ATP 0.004381 0.41595 9.52381
319 2D7C GTP 0.00003315 0.53584 9.58084
320 5IRC GDP 0.001168 0.44482 9.67742
321 5HPY GDP 0.0005216 0.46588 9.72973
322 3LXR GDP 0.0003153 0.45983 9.72973
323 3PQC GDP 0.0001433 0.47474 9.74359
324 2HT6 GDP 0.000004182 0.57093 9.77011
325 5G41 AP5 0.007574 0.44298 9.86547
326 1OIX GDP 0.00003288 0.53601 9.94764
327 1OIV GDP 0.00004495 0.52946 9.94764
328 2EW1 GNP 0.00007666 0.51416 9.95025
329 4ZI2 GNP 0.00001532 0.46943 10
330 4GOJ GNP 0.00001107 0.47519 10.0529
331 4KVG GTP 0.00005354 0.42553 10.119
332 4HDQ GNP 0.00008389 0.51832 10.1796
333 1GUA GNP 0.00005595 0.41866 10.1796
334 4HDO GNP 0.00006324 0.41745 10.1796
335 3X1Z GNP 0.00005389 0.4147 10.1796
336 3REF GDP 0.0004084 0.41756 10.3093
337 4AG5 ADP 0.008011 0.42049 10.4592
338 3WYF GTP 0.00002034 0.42177 10.5023
339 1YZG GDP 0.000002002 0.56892 10.6145
340 4V0K GDP 0.0000156 0.44859 10.6509
341 5O2T GSP 0.0000765 0.41551 10.6952
342 5L3V GDP 0.00000005893 0.62011 10.7023
343 5L3S GNP 0.00000006597 0.51942 10.7383
344 2A9K GDP 0.00002649 0.48353 10.7623
345 3VX3 ADP 0.00305 0.43208 10.8871
346 2HV8 GTP 0.00007194 0.42293 10.9375
347 5HCN GCP 0.0002275 0.47481 11.1111
348 1JJ7 ADP 0.007891 0.42353 11.1538
349 1GP2 GDP 0.00002099 0.45454 11.2676
350 3M1I GTP 0.00002633 0.42746 11.5183
351 1UPT GTP 0.000159 0.4313 11.6667
352 3T12 GDP ALF 0.000006003 0.48014 11.7647
353 3DOE GTP 0.000006208 0.47088 11.9792
354 2G77 GDP 0.000005296 0.51093 12.1212
355 1KSH GDP 0.000006104 0.56164 12.3656
356 1CS4 GSP 0.000006527 0.44049 12.8889
357 2XTN GTP 0.00009849 0.50896 13.2479
358 4XTR ADP 0.0005235 0.42183 13.5135
359 1GWN GTP 0.0004873 0.47172 13.6585
360 3TKL GTP 0.00006655 0.51921 14.2322
361 1M7B GTP 0.000449 0.42452 15.2174
362 4P3Y GDP 0.0000009444 0.5596 15.3846
363 1HTW ADP 0.004368 0.41601 15.8228
364 2PL3 ADP 0.0004821 0.47153 16.1017
365 1HE1 GDP 0.0007941 0.41581 16.2963
366 5M7P ADP 0.006793 0.4157 16.5533
367 4CVN ADP 0.004608 0.42935 16.7883
368 2UZI GTP 0.00007069 0.42008 17.3077
369 1KAO GDP 0.00006592 0.46924 19.7605
370 4BAS GNP 0.00002556 0.53464 20.1005
371 1I4D GDP 0.0001454 0.49663 21.3542
372 4LHW GNP 0.00007021 0.42412 21.8391
373 1XX6 ADP 0.01131 0.41322 21.9895
374 1VG8 GNP 0.00003895 0.53446 22.2222
375 1VG0 GDP 0.0000315 0.49087 22.2222
376 1G4U GDP 0.0006154 0.42487 22.2826
377 3WYG GTP 0.00003389 0.41849 22.3684
378 2ODE ALF GDP 0.00001431 0.42703 22.695
379 1VG1 GDP 0.00001528 0.52851 22.7027
380 1VG9 GDP 0.00002137 0.52184 22.7027
381 2FJU GSP 0.0007353 0.41633 23.0337
382 3MJH GTP 0.00005576 0.42553 23.5294
383 1RYH GNP 0.0003211 0.47069 23.6453
384 4QOS ADP 0.003528 0.41157 23.7736
385 5XCO GDP 0.00003941 0.51557 23.8095
386 3QBT GNP 0.0000598 0.425 25.2874
387 3TNF GNP 0.00003261 0.4204 25.2874
388 1FQJ GDP 0.0000186 0.45456 26.1905
389 5DI9 GNP 0.0000453 0.41473 42.8571
Pocket No.: 3; Query (leader) PDB : 5I34; 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: 5i34.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5I34; Ligand: IMP; Similar sites found: 17
This union binding pocket(no: 4) in the query (biounit: 5i34.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LKC FUC GLA A2G 0.004907 0.44468 1.94805
2 4GK9 MAN BMA MAN MAN MAN 0.02725 0.40535 2.15054
3 3UCL NAP 0.03211 0.41304 2.49433
4 3UCL CYH 0.02972 0.41304 2.49433
5 3UCL FAD 0.02972 0.41304 2.49433
6 1UWK URO 0.008477 0.42763 3.40136
7 1UWK NAD 0.008477 0.42763 3.40136
8 3KRR DQX 0.02237 0.41676 3.72881
9 4RL4 PPV 0.01482 0.42059 3.77358
10 1VRP IOM 0.01381 0.41196 5.24934
11 1HFE CYS 0.0257 0.40203 5.69106
12 4ETZ C2E 0.01668 0.4041 6.06061
13 1U4L H1S 0.03216 0.40228 7.35294
14 4G4P GLN 0.02415 0.40131 8.60656
15 1FTH A3P 0.02069 0.40476 18.0328
16 3GCM 5GP 0.007644 0.44741 19.5122
17 4XW2 SIM 0.006209 0.42754 20.202
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