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Receptor
PDB id Resolution Class Description Source Keywords
2QV6 2 Å EC: 3.5.4.29 GTP CYCLOHYDROLASE III FROM M. JANNASCHII (MJ0145) COMPLEXED WITH GTP AND METAL IONS METHANOCALDOCOCCUS JANNASCHII ENZYME GTP FAPY HYDROLASE
Ref.: A NEW USE FOR A FAMILIAR FOLD: THE X-RAY CRYSTAL STRUCTURE OF GTP-BOUND GTP CYCLOHYDROLASE III FROM METHANOCALDOCOCCUS JANNASCHII REVEALS A TWO METAL ION CATALYTIC MECHANISM BIOCHEMISTRY V. 47 230 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
C:302;
D:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GTP A:300;
B:300;
C:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
K A:301;
B:301;
C:301;
D:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
NA A:303;
B:303;
C:303;
D:303;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QV6 2 Å EC: 3.5.4.29 GTP CYCLOHYDROLASE III FROM M. JANNASCHII (MJ0145) COMPLEXED WITH GTP AND METAL IONS METHANOCALDOCOCCUS JANNASCHII ENZYME GTP FAPY HYDROLASE
Ref.: A NEW USE FOR A FAMILIAR FOLD: THE X-RAY CRYSTAL STRUCTURE OF GTP-BOUND GTP CYCLOHYDROLASE III FROM METHANOCALDOCOCCUS JANNASCHII REVEALS A TWO METAL ION CATALYTIC MECHANISM BIOCHEMISTRY V. 47 230 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2QV6 - GTP C10 H16 N5 O14 P3 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 1 families.
1 2QV6 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2QV6 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QV6; Ligand: GTP; Similar sites found with APoc: 140
This union binding pocket(no: 1) in the query (biounit: 2qv6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3GUZ PAF None
2 5KK4 44E None
3 4WG0 CHD None
4 3P9T TCL None
5 1KJ1 MAN None
6 2BW7 ECS 1.36986
7 2BW7 APC 1.36986
8 1S9A BEZ 1.55642
9 5M37 9SZ 1.73913
10 3QTP 2PG 1.86567
11 1H5R G1P 2.23881
12 3TY3 GGG 2.23881
13 1YXM ADE 2.23881
14 1H5R THM 2.23881
15 3I9U DTU 2.28137
16 3OKA GDD 2.3622
17 2GN3 MAN 2.38095
18 2GN3 MMA 2.38095
19 2GNM MAN 2.38095
20 1XPJ TLA 2.38095
21 2GMM MAN MAN 2.38095
22 2PHU MAN MAN 2.38095
23 1Q8V MAN MAN 2.38095
24 2GND MAN 2.38095
25 1UKG MMA 2.38095
26 1Q8O MAN MMA 2.38095
27 4ZNO SUC 2.61194
28 4RW3 TDA 2.61194
29 1ON3 DXX 2.61194
30 3ZJX BOG 2.61194
31 3GGF GVD 2.61194
32 6FK6 DOK 2.61194
33 2Z49 AMG 2.98507
34 3WBZ ATP 2.98507
35 2Z48 NGA 2.98507
36 4CM9 YGL 2.98507
37 5ENZ UDP 2.98507
38 5FPN KYD 2.98507
39 2Z48 A2G 2.98507
40 1CS4 101 3.11111
41 1CS4 FOK 3.11111
42 2CDO GAL AAL GAL AAL GAL AAL 3.125
43 2BOY BHO 3.14961
44 4YJK URA 3.1746
45 2X2T GAL NGA 3.26797
46 4WOV 3SM 3.35821
47 6F5W KG1 3.35821
48 3MEH THP 3.4965
49 1MFI FHC 3.50877
50 4OWK NGA 3.62319
51 5MUA GAL 3.73134
52 2WR1 NAG 3.73134
53 2GEK GDP 3.73134
54 5MDH MAK 3.73134
55 4FBL SPD 3.73134
56 5L4R CPT 3.86473
57 4F4S EFO 3.94737
58 3NBC LAT 4.05405
59 1UPR 4IP 4.06504
60 4OUJ LBT 4.10448
61 3A23 GAL 4.10448
62 3A51 VDY 4.10448
63 3PUN FUC GAL NDG FUC 4.10448
64 2CUN 3PG 4.10448
65 4ZGR NGA GAL 4.45344
66 2D24 XYS XYS 4.47761
67 3AJ6 NGA 4.47761
68 4MRP GSH 4.47761
69 2AL2 PEP 4.47761
70 2WEI VGG 4.47761
71 1PDZ PGA 4.85075
72 5WKC F50 4.85075
73 3HQP OXL 4.85075
74 4G9N NGA 4.8951
75 1NU4 MLA 5.15464
76 1GPJ CIT 5.22388
77 4KGM ATP 5.30612
78 5C9P FUC 5.59701
79 2VN9 GVD 5.59701
80 5NM7 GLY 5.6391
81 5OCG 9R5 5.82011
82 4PPF FLC 5.97015
83 2D5X L35 6.38298
84 1JZN BGC GAL 6.66667
85 5A1S FLC 6.71642
86 4DDY DN6 6.84411
87 1RJW ETF 7.08955
88 2YIP YIO 7.24638
89 1LNX URI 7.40741
90 5J6Y GLC 7.44681
91 5J6Y BGC 7.44681
92 3VPB GLU 7.46269
93 5F6U 5VK 7.64331
94 1XX4 BAM 7.66284
95 1BCJ NGA 7.79221
96 4WP9 ZDA 7.9096
97 5TQZ GLC 8
98 4AML GYU 8.18713
99 2UVO NDG 8.18713
100 3BEO UDP 8.20895
101 5CX8 TG6 8.20895
102 4PZ6 GMP 8.20895
103 1UGX GAL MGC 8.27068
104 4IDT T28 8.58209
105 2J6U DGT 8.95522
106 2ZQO NGA 9.23077
107 1T0S BML 9.70149
108 5Y4R C2E 10.0746
109 1SL6 GAL NDG FUC 10.3261
110 4OGQ UMQ 10.625
111 3CEV ARG 10.8209
112 3RMK BML 10.8434
113 3W2W ATP 11.194
114 1KNM LAT 11.5385
115 5IFK HPA 11.5672
116 4ZVF GAV 11.6279
117 1TLG GAL 12
118 4UP4 NDG 12.3134
119 4UP4 NAG 12.3134
120 6GMN F4E 12.3711
121 4M6T SAM 12.5683
122 5MB4 NAG 13.0597
123 5MB4 NDG 13.0597
124 2G50 PYR 13.0597
125 4AVV GHE 13.2353
126 4AVV CD 13.2353
127 2Y69 CHD 13.4021
128 3VPD CIT 13.4328
129 1RV1 IMZ 14.1176
130 5Z84 CHD 15.3061
131 5ZCO CHD 15.3061
132 5W97 CHD 15.3061
133 5OYH T99 15.544
134 4LO2 GAL BGC 16.3265
135 3ZGJ RMN 17.1642
136 4OYA 1VE 18.6567
137 1YBU APC 20.1087
138 3WUR O4B 26.9006
139 3KP6 SAL 29.8013
140 4TUZ 36J 46.1538
Pocket No.: 2; Query (leader) PDB : 2QV6; Ligand: GTP; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 2qv6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3ITJ CIT 1.49254
2 1O68 KIV 1.49254
3 1VR0 3SL 2.02429
4 3I51 45C 2.23881
5 2GNB MAN 2.38095
6 2VDY HCY 2.61194
7 1ZED PNP 2.61194
8 4BGB ADP 2.61194
9 1SDW IYT 3.73134
10 5H9P TD2 3.79747
11 6CWH 6LA 4.3956
12 1DMH MCT 4.47761
13 1M3U KPL 4.54545
14 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.85075
15 3HQ9 OXL 4.85075
16 2VZ6 FEF 5.22388
17 4JLS 3ZE 5.26316
18 1ICV NIO 5.52995
19 1F0X FAD 5.97015
20 1D6Z HY1 7.08955
21 6BGC BGC 7.46269
22 5FJJ MAN 7.83582
23 3VSV XYS 8.20895
24 5XQW 8EU 8.29493
25 5Z3I ADE 8.30189
26 6GZD LCI 8.82353
27 1CBK ROI 9.375
28 1VBO MAN 9.39597
29 2X2M X2M 10.0746
Pocket No.: 3; Query (leader) PDB : 2QV6; Ligand: GTP; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 2qv6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3AI3 SOE 1.14068
2 2IOY RIP 2.61194
3 3RJ5 NAD 2.75591
4 4TVD BGC 2.98507
5 5XVG 8FX 2.98507
6 1TZD ADP 2.98507
7 1C3X 8IG 3.00752
8 3WSG CIT 3.1746
9 2VWT PYR 3.37079
10 1DRJ RIP 3.73134
11 1TDU DUR 3.77358
12 1J6W MET 4
13 1QXA GLY GLY GLY 4.68085
14 3I0O SMI 5.59701
15 4F06 PHB 5.97015
16 1DTL BEP 6.8323
17 6BVK EAV 7.08955
18 4WQQ MAN 7.80142
19 5D63 FUC GLA GLA 8.95522
20 4URX FK1 9.72973
21 1UYY BGC BGC 9.92366
22 1JQY A32 11.6505
23 4UP4 GAL NAG 12.3134
24 3VWX GSH 16.2162
25 2XN3 ID8 35
Pocket No.: 4; Query (leader) PDB : 2QV6; Ligand: GTP; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 2qv6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4G86 BNT 2.23881
2 4D4U FUC GAL NDG FUC 2.61194
3 4WGF HX2 3.41463
4 1LVG ADP 3.53535
5 1JG0 UMP 3.78788
6 5OSW DIU 5.22388
7 5UI2 SUC 5.22388
8 4RDL FUC GAL NDG FUC 5.59701
9 1VMK GUN 8.58209
10 2NUO BGC 9.01639
11 5X3R 7Y3 10.2439
12 3OLL EST 31.5789
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