-->
Receptor
PDB id Resolution Class Description Source Keywords
1C9K 2.2 Å EC: 2.-.-.- THE THREE DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE ADENOSYLCOBINAMIDE PHOSPHATE GUALYLYLTRANSFERASE (COBU) COMW ITH GMP: EVIDENCE FOR A SUBSTRATE INDUCED TRANSFERASE ACTI SALMONELLA TYPHIMURIUM ALPHA/BETA STRUCTURE ROSSMANN FOLD P-LOOP TRANSFERASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE/ADENOSYLCOBINAMIDE PHOSPHATE GUANYLYLTRANSFE (COBU) COMPLEXED WITH GMP: EVIDENCE FOR A SUBSTRATE TRANSFERASE ACTIVE SITE. BIOCHEMISTRY V. 38 12995 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5GP A:604;
B:605;
C:606;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
MG C:607;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:600;
B:601;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
POP C:608;
Invalid;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C9K 2.2 Å EC: 2.-.-.- THE THREE DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE ADENOSYLCOBINAMIDE PHOSPHATE GUALYLYLTRANSFERASE (COBU) COMW ITH GMP: EVIDENCE FOR A SUBSTRATE INDUCED TRANSFERASE ACTI SALMONELLA TYPHIMURIUM ALPHA/BETA STRUCTURE ROSSMANN FOLD P-LOOP TRANSFERASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE/ADENOSYLCOBINAMIDE PHOSPHATE GUANYLYLTRANSFE (COBU) COMPLEXED WITH GMP: EVIDENCE FOR A SUBSTRATE TRANSFERASE ACTIVE SITE. BIOCHEMISTRY V. 38 12995 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1C9K - 5GP C10 H14 N5 O8 P 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 237 families.
1 1C9K - 5GP C10 H14 N5 O8 P 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 187 families.
1 1C9K - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 G1R 0.765432 0.973333
11 GCP 0.765432 0.960526
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GMP 0.732394 0.866667
18 GPG 0.724138 0.948052
19 G2R 0.712644 0.948052
20 ALF GDP 0.701149 0.9
21 GDP ALF 0.701149 0.9
22 GDP AF3 0.701149 0.9
23 GKE 0.692308 0.948052
24 Y9Z 0.692308 0.890244
25 GDC 0.692308 0.948052
26 GDD 0.692308 0.948052
27 YGP 0.681319 0.9125
28 G3A 0.677419 0.960526
29 G5P 0.670213 0.960526
30 GFB 0.666667 0.948052
31 GDR 0.666667 0.948052
32 GTG 0.666667 0.924051
33 6CK 0.659574 0.924051
34 3GP 0.65 0.959459
35 G G 0.648936 0.960526
36 GKD 0.645833 0.948052
37 JB2 0.645833 0.948052
38 GDX 0.639175 0.960526
39 GPD 0.639175 0.9125
40 GDP 7MG 0.635417 0.923077
41 G3D 0.617977 0.972973
42 U2G 0.617647 0.924051
43 2GP 0.609756 0.946667
44 IMP 0.609756 0.972603
45 JB3 0.607843 0.935897
46 CG2 0.605769 0.924051
47 G4P 0.604396 0.972973
48 DGP 0.60241 0.922078
49 DG 0.60241 0.922078
50 FEG 0.601942 0.890244
51 NGD 0.601942 0.948052
52 ZGP 0.596154 0.879518
53 0O2 0.595745 0.972973
54 2MD 0.584906 0.879518
55 G7M 0.583333 0.960526
56 CAG 0.583333 0.869048
57 G A A A 0.579439 0.935065
58 A G 0.579439 0.947368
59 U A G G 0.574074 0.947368
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 PGD 0.5625 0.9125
63 MD1 0.5625 0.879518
64 P2G 0.55814 0.894737
65 GCP G 0.556701 0.933333
66 FE9 0.553571 0.784946
67 P1G 0.545455 0.883117
68 GH3 0.542553 0.96
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 G U 0.522936 0.911392
74 PGD O 0.521368 0.83908
75 DGT 0.521277 0.910256
76 G4M 0.520325 0.869048
77 AKW 0.513761 0.878049
78 G C 0.513514 0.911392
79 93A 0.511364 0.821429
80 IDP 0.505495 0.959459
81 MGQ 0.505155 0.948052
82 C2R 0.5 0.893333
83 A 0.5 0.905405
84 AMZ 0.5 0.905405
85 BGO 0.5 0.911392
86 AMP 0.5 0.905405
87 AIR 0.493671 0.890411
88 MGV 0.49 0.901235
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 G G G RPC 0.473684 0.886076
93 GGM 0.473684 0.888889
94 71V 0.47191 0.85
95 APC G U 0.470085 0.897436
96 R5I 0.46875 0.933333
97 R7I 0.46875 0.933333
98 MGP 0.46875 0.948052
99 35G 0.468085 0.945946
100 PCG 0.468085 0.945946
101 C2E 0.468085 0.933333
102 G1G 0.466102 0.9125
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 FAI 0.465909 0.905405
106 7RA 0.465909 0.918919
107 1RB 0.465116 0.824324
108 6G0 0.463918 0.948052
109 5GP 5GP 0.463158 0.894737
110 G G G C 0.462185 0.924051
111 RBZ 0.45977 0.815789
112 UCG 0.459016 0.923077
113 A G C C 0.458333 0.923077
114 DG DG 0.456311 0.876543
115 G U34 0.45614 0.9
116 IMO 0.449438 0.866667
117 A G U 0.446154 0.9
118 G C C C 0.443548 0.935897
119 IRN 0.443038 0.808219
120 PMO 0.43956 0.792208
121 7RP 0.438202 0.864865
122 GTA 0.436364 0.924051
123 JLN 0.433333 0.88
124 P2P 0.433333 0.842105
125 A G U U 0.42963 0.9
126 XMP 0.428571 0.907895
127 PGS 0.425532 0.804878
128 RVP 0.423529 0.84
129 G2Q 0.423077 0.948052
130 ADP 0.419355 0.906667
131 ABM 0.417582 0.857143
132 A2D 0.417582 0.881579
133 PRT 0.416667 0.945946
134 GUO 0.415842 0.932432
135 AT4 0.414894 0.871795
136 CA0 0.410526 0.883117
137 2SA 0.41 0.871795
138 1YD 0.409091 0.933333
139 4BW 0.409091 0.933333
140 A12 0.408602 0.871795
141 AP2 0.408602 0.871795
142 BA3 0.408602 0.881579
143 6C6 0.408163 0.825
144 25A 0.407767 0.906667
145 NOS 0.406977 0.813333
146 HEJ 0.40625 0.906667
147 ATP 0.40625 0.906667
148 AP5 0.404255 0.881579
149 B4P 0.404255 0.881579
150 ACQ 0.40404 0.883117
151 6IA 0.40404 0.785714
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 APC 0.402062 0.871795
155 3ZE 0.402062 0.871795
156 5FA 0.402062 0.906667
157 AQP 0.402062 0.906667
158 N6P 0.4 0.853333
159 AN2 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C9K; Ligand: 5GP; Similar sites found with APoc: 131
This union binding pocket(no: 1) in the query (biounit: 1c9k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWT PYR None
2 6GNO XDI None
3 6AYH C3G None
4 6ESN BWE None
5 5NTW 98N None
6 6AYI C3G None
7 1GXU 2HP None
8 1BWO LPC None
9 1MID LAP None
10 3L2B B4P None
11 1N5S ADL None
12 2QES ADE None
13 1XXA ARG None
14 3LE7 ADE 1.11111
15 2CIX CEJ 1.66667
16 2V5K OXM 1.66667
17 4B5W PYR 1.66667
18 3DUV KDO 1.66667
19 2XN3 ID8 1.66667
20 4RDL FUC GAL NDG FUC 2.22222
21 1Y75 NAG 2.54237
22 2XZ9 PYR 2.77778
23 4OB6 S2T 2.77778
24 2Y6Q I7T 2.77778
25 1IID NHM 2.77778
26 2WT2 GAL NAG GAL NAG GAL NAG 2.77778
27 3QP8 HL0 2.77778
28 4WGF HX2 2.77778
29 3BJE URA 2.77778
30 6GG9 FMN 3.08642
31 2HJ3 FAD 3.2
32 4KXL 6C6 3.28947
33 4L80 OXL 3.33333
34 1P7T PYR 3.33333
35 1D8C GLV 3.33333
36 1IZC PYR 3.33333
37 3O01 DXC 3.33333
38 4PGK Y69 3.33333
39 3E2M E2M 3.33333
40 5X7Q GLC GLC GLC GLC 3.33333
41 5X7Q GLC GLC GLC GLC GLC 3.33333
42 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 3.61991
43 2ART LPA AMP 3.88889
44 4L9Z OXL 3.88889
45 4IGH FMN 3.88889
46 4IGH ORO 3.88889
47 4IGH 1EA 3.88889
48 5Z3I ADE 3.88889
49 1UNB PN1 3.88889
50 1UNB AKG 3.88889
51 4KCT PYR 3.88889
52 2A92 NAI 3.88889
53 4HA6 FAD 3.88889
54 3KU0 ADE 3.88889
55 5X3R 7Y3 3.88889
56 1EYQ NAR 3.88889
57 3VSV XYP 4.44444
58 1KC7 PPR 4.44444
59 5WS9 OXL 4.44444
60 4G31 0WH 4.44444
61 4X6F 3XU 4.44444
62 3T6E MQ9 4.44444
63 2G50 PYR 4.44444
64 2BO4 FLC 4.44444
65 2VJ8 HA2 4.44444
66 4D4U FUC GAL NAG 4.44444
67 2WZG UPG 4.44444
68 2J8C U10 5
69 4QJR PIZ 5
70 5B0W 22B 5
71 1VBH PEP 5.55556
72 1Y7P RIP 5.55556
73 1J78 OLA 5.55556
74 5C9J DAO 5.55556
75 5V3Y 5V8 5.55556
76 4POJ 2VP 5.55556
77 5DUF G7A 5.55556
78 1PVN MZP 5.55556
79 4RYV ZEA 5.80645
80 3KO0 TFP 5.94059
81 4BR5 ANP 6.11111
82 3OKI OKI 6.11111
83 4IP7 FLC 6.11111
84 3CQD ATP 6.11111
85 1PZO CBT 6.11111
86 1EWJ BLM 6.34921
87 3KP6 SAL 6.62252
88 5N9T 8QQ 6.66667
89 4GID 0GH 6.66667
90 4PYW ACE THR THR ALA ILE NH2 6.66667
91 4WRI OKA 6.66667
92 1SDW IYT 6.66667
93 3K8D KDO 6.66667
94 5OF1 SAL 7.14286
95 3VBK COA 7.22222
96 2ZCQ B65 7.22222
97 3RZ3 U94 7.22222
98 2ALG DAO 7.6087
99 2ALG HP6 7.6087
100 4NV7 COA 7.77778
101 1GP6 QUE 8.33333
102 1TT8 PHB 8.53659
103 5X80 SAL 8.75
104 4EHQ GBL 8.78378
105 4M1U A2G MBG 8.88889
106 3T4L ZEA 8.88889
107 5NI5 8YB 9.02778
108 1KJ1 MAN 9.17431
109 4V1F BQ1 9.30233
110 3HQP OXL 9.44444
111 3SCM LGN 9.44444
112 3HP9 CF1 10.5556
113 3I3X U22 11.1111
114 3KXC PLM 11.3924
115 5B4B LP5 11.6667
116 3WXM GTP 11.6667
117 1WUB OTP 11.7978
118 4KBA 1QM 12.2222
119 5W4W 9WG 12.2222
120 2YW2 ATP 12.2222
121 3CV2 OXL 12.7778
122 5LXT GTP 12.7778
123 3A5Z KAA 12.7778
124 4P5E N6P 13.8158
125 1UO4 PIH 14.7059
126 1UO5 PIH 14.7059
127 3RWP ABQ 16.1111
128 2E5A LAQ 17.7778
129 4F4S EFO 18.4211
130 1JQN DCO 20
131 1Q2C COA 21.0526
Pocket No.: 2; Query (leader) PDB : 1C9K; Ligand: 5GP; Similar sites found with APoc: 62
This union binding pocket(no: 2) in the query (biounit: 1c9k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWA PTY None
2 5BV6 35G None
3 5IXG OTP None
4 3ND6 ATP None
5 4WPF 3SN None
6 3WUD GLC GAL None
7 5N8V KZZ None
8 2FKW RG1 None
9 2B96 ANN None
10 1CM0 COA None
11 1EWF PC1 1.11111
12 5UGW GSH 1.14286
13 4QYS PLP SEP 1.66667
14 2JEV NHQ 1.72414
15 4ELG 52J 1.80723
16 4ELG 52I 1.80723
17 1Q3A NGH 2.42424
18 3E85 BSU 2.53165
19 4NAT ADP 3.125
20 4NAT 2W5 3.125
21 2P3V SRT 3.33333
22 5XJ7 87O 3.33333
23 3OJI PYV 3.33333
24 4H6Q TFB 3.33333
25 3QKD HI0 3.33333
26 5IKR ID8 3.33333
27 5HGZ ACO 3.33333
28 3WQT ANP 3.33333
29 1BGQ RDC 3.88889
30 4IPE ANP 3.88889
31 1SBR VIB 3.88889
32 4O1Z MXM 3.88889
33 4B6C B5U 3.88889
34 3PF7 MLA 3.88889
35 5A8E XTK 3.88889
36 2ISJ FMN 4.44444
37 3WCA FPS 4.44444
38 3UWB BB2 4.54545
39 4LED XXR 5
40 4QWT ACD 5
41 4C2X NHW 5.55556
42 1RJD SAM 5.55556
43 1XVB BHL 5.88235
44 6CAM BGC 6.11111
45 1LFO OLA 6.25
46 4OIV XX9 6.66667
47 4RW3 PLM 7.22222
48 4MRP GSH 7.77778
49 3M6P BB2 8.33333
50 1GNI OLA 8.33333
51 1W5F G2P 8.33333
52 1ZXM ANP 8.88889
53 3RV5 DXC 8.98876
54 1M48 FRG 9.77444
55 1R6N 434 10.5556
56 3G9E RO7 11.1111
57 5EYP LOC 11.1111
58 1T0S BML 12.2222
59 4IVG ANP 12.2222
60 3GZ9 D32 12.7778
61 4NU0 AP5 13.8889
62 3GWL FAD 15.0943
Pocket No.: 3; Query (leader) PDB : 1C9K; Ligand: 5GP; Similar sites found with APoc: 46
This union binding pocket(no: 3) in the query (biounit: 1c9k.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2RFI SAH None
3 2PR5 FMN None
4 3SWC SAH None
5 2Z6C FMN 2.32558
6 3U31 NAD 2.77778
7 3ZYR NAG NAG BMA MAN MAN NAG NAG 2.77778
8 2IBY COA 2.77778
9 1UJP CIT 2.77778
10 2RH4 EMO 3.33333
11 5WPJ NDP 3.33333
12 3FV3 IVA VAL VAL STA ALA STA 3.33333
13 4KWD JF2 3.33333
14 4DEC UDP 3.77907
15 4DEC 3PG 3.77907
16 4GGL CJC 3.88889
17 5FB3 NDP 3.88889
18 4XIZ LPP 4.11765
19 5T0K SAM 4.44444
20 5JIY SAM 4.44444
21 4HIA FMN 4.54545
22 2VZ0 D64 5
23 2VZ0 NAP 5
24 3H5N ATP 5
25 5ERR ADP 5
26 1NYT NAP 5
27 1M7G ADP 5
28 1M7G ADX 5
29 4QAC KK3 5.55556
30 4GCZ FMN 5.55556
31 2DX7 CIT 5.55556
32 4EES FMN 6.08696
33 5HRA DAS 6.66667
34 4WUJ FMN 6.80272
35 4MSG 2C6 7.22222
36 5DKK FMN 7.58621
37 4R74 F6P 8.33333
38 5ODY 9SK 8.69565
39 2Z6D FMN 9.23077
40 4R38 RBF 9.28571
41 3ICC NAP 9.44444
42 1LSH PLD 10.5556
43 3IAE D7K 11.1111
44 1LOR BMP 12.7778
45 4WB7 ATP 13.8889
46 3T50 FMN 17.9688
APoc FAQ
Feedback