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Receptor
PDB id Resolution Class Description Source Keywords
2ZMF 2.1 Å EC: 3.1.4.17 CRYSTAL STRUCTURE OF THE C-TERMINAL GAF DOMAIN OF HUMAN PHOSPHODIESTERASE 10A HOMO SAPIENS GAF DOMAIN PHOSPHODIESTERASE CAMP CGMP CGMP-BINDING HYDNUCLEOTIDE-BINDING STRUCTURAL GENOMICS NPPSFA NATIONAL PPROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF THE GAF-B DOMAIN FROM HUMAN PHOSPHODIESTERASE 10A COMPLEXED WITH ITS LIGAND, CA J.BIOL.CHEM. V. 283 19657 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMP A:2001;
B:2001;
Valid;
Valid;
none;
none;
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329.206 C10 H12 N5 O6 P c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZMF 2.1 Å EC: 3.1.4.17 CRYSTAL STRUCTURE OF THE C-TERMINAL GAF DOMAIN OF HUMAN PHOSPHODIESTERASE 10A HOMO SAPIENS GAF DOMAIN PHOSPHODIESTERASE CAMP CGMP CGMP-BINDING HYDNUCLEOTIDE-BINDING STRUCTURAL GENOMICS NPPSFA NATIONAL PPROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF THE GAF-B DOMAIN FROM HUMAN PHOSPHODIESTERASE 10A COMPLEXED WITH ITS LIGAND, CA J.BIOL.CHEM. V. 283 19657 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMP; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 2BA 1 0.984848
2 CMP 1 1
3 RP1 0.757143 0.928571
4 SP1 0.757143 0.928571
5 1YD 0.727273 0.902778
6 4BW 0.727273 0.902778
7 1SY 0.653061 0.902778
8 1OR 0.635294 0.807692
9 4UR 0.626263 0.902778
10 7CH 0.580247 0.984615
11 6SX 0.573171 0.953846
12 6SZ 0.559524 0.984848
13 N6R 0.535354 0.914286
14 N6S 0.535354 0.914286
15 PCG 0.534091 0.888889
16 35G 0.534091 0.888889
17 C2E 0.534091 0.902778
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 XYA 0.5 0.826087
21 5CD 0.5 0.811594
22 ACK 0.5 0.897059
23 RAB 0.5 0.826087
24 ADN 0.5 0.826087
25 6SW 0.494382 0.9
26 5AD 0.493151 0.776119
27 5N5 0.486842 0.8
28 75G 0.483146 0.890411
29 A4D 0.480519 0.8
30 M2T 0.475 0.736842
31 MTA 0.469136 0.777778
32 CC5 0.466667 0.850746
33 EP4 0.4625 0.756757
34 DTA 0.45679 0.816901
35 QQX 0.452381 0.835616
36 LMS 0.447059 0.7875
37 AMP 0.447059 0.927536
38 QQY 0.447059 0.847222
39 A 0.447059 0.927536
40 3DH 0.440476 0.777778
41 3AM 0.435294 0.913043
42 A2D 0.431818 0.928571
43 J7C 0.431818 0.75
44 ABM 0.431818 0.901408
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 SRA 0.425287 0.876712
49 6RE 0.425287 0.74026
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 BA3 0.422222 0.928571
53 A12 0.422222 0.864865
54 AP2 0.422222 0.864865
55 MAO 0.422222 0.740741
56 DSH 0.420455 0.727273
57 NEC 0.420455 0.726027
58 AOC 0.420455 0.802817
59 A3G 0.420455 0.780822
60 SFG 0.419355 0.753425
61 6JR 0.419048 0.927536
62 ADP 0.417582 0.901408
63 AP5 0.417582 0.928571
64 5AS 0.417582 0.741176
65 B4P 0.417582 0.928571
66 A3N 0.41573 0.767123
67 APC 0.414894 0.864865
68 AN2 0.413043 0.888889
69 SON 0.413043 0.864865
70 AT4 0.413043 0.864865
71 EEM 0.412371 0.691358
72 GJV 0.411111 0.730769
73 GGZ 0.41 0.78481
74 OVE 0.409091 0.863014
75 M33 0.408602 0.888889
76 ADX 0.408602 0.810127
77 AU1 0.408602 0.876712
78 CA0 0.408602 0.876712
79 A3P 0.406593 0.927536
80 5X8 0.404255 0.767123
81 ATP 0.404255 0.901408
82 ACP 0.404255 0.876712
83 HEJ 0.404255 0.901408
84 50T 0.404255 0.888889
85 ADP VO4 0.40404 0.888889
86 VO4 ADP 0.40404 0.888889
87 SAM 0.402062 0.691358
88 0UM 0.401961 0.7
89 AR6 0.4 0.901408
90 AQP 0.4 0.901408
91 5FA 0.4 0.901408
92 APR 0.4 0.901408
93 PRX 0.4 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZMF; Ligand: CMP; Similar sites found with APoc: 259
This union binding pocket(no: 1) in the query (biounit: 2zmf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3LA3 2FT None
2 2XKO AKG None
3 2XHK AKG None
4 6FA4 D1W None
5 1QKQ MAN None
6 4USI AKG None
7 2HKA C3S None
8 5V1B 8UY None
9 5ML3 DL3 None
10 3N1S 5GP None
11 1UYY BGC BGC None
12 5CLO NS8 None
13 4INI AMP None
14 5WHU SIA None
15 6GR0 F8W None
16 4H6B 10X None
17 2YJ0 420 None
18 4O9S 2RY 1.0582
19 1ERB ETR 1.0929
20 2G30 ALA ALA PHE 1.5873
21 3RWP ABQ 1.5873
22 5N1P 8GK 1.5873
23 2YKL NLD 1.5873
24 2E27 AB0 1.68067
25 3FW4 CAQ 1.68539
26 5F6U 5VK 1.91083
27 4M3P HCS 2.1164
28 6FXR AKG 2.1164
29 2JIG PD2 2.1164
30 3I7S PYR 2.1164
31 4TWP AXI 2.1164
32 1ZZ7 S0H 2.1164
33 1YHM AHD 2.1164
34 1Y7I SAL 2.1164
35 2XK9 XK9 2.1164
36 4UDK BMA 2.1164
37 2AAZ CB3 2.1164
38 3UB7 ACM 2.20994
39 1P0Z FLC 2.29008
40 3L5R 47X 2.45902
41 6GG9 FMN 2.46914
42 3E85 BSU 2.53165
43 3ZJX BOG 2.6455
44 5NKB 8ZT 2.6455
45 5XEG AKG 2.6455
46 6FOF LAT 2.6455
47 3CL5 SIO 2.6455
48 2I74 MAN MAN MAN MAN 2.6455
49 4CQE CQE 2.6455
50 1VHW ADN 2.6455
51 2AC7 ADN 2.6455
52 3BF8 MLA 2.6455
53 4AVV CD 2.6455
54 4R38 RBF 2.85714
55 5IXH OTP 3.10559
56 1Y9Q MED 3.1746
57 5LUN ARG 3.1746
58 5LUN OGA 3.1746
59 6E1Q CFA 3.1746
60 3AB4 THR 3.1746
61 4BG4 ADP 3.1746
62 5KD6 LBU 3.1746
63 5T7I LAT NAG GAL 3.22581
64 5GP0 GPP 3.3557
65 4WOE ADP 3.7037
66 4COQ SAN 3.7037
67 5JJ2 MLI 3.7037
68 5JGA 6KC 3.7037
69 1I82 BGC BGC 3.7037
70 4OYA 1VE 3.7037
71 2VFK AMP 3.7037
72 1DMY AZM 3.7037
73 3JU6 ANP 3.7037
74 6GW4 CHO 3.7037
75 2XMY CDK 3.7037
76 4ZTD ALA GLY ALA GLY ALA 3.7037
77 3M0J OAF 3.7037
78 4F4P 0SB 3.7037
79 4KBA 1QM 3.7037
80 4YGF AZM 3.7037
81 5ISY NAD 3.7037
82 5G1N PAL 3.7037
83 5W4W 9WG 3.7037
84 5CJF 520 3.7037
85 5J75 6GQ 3.7037
86 1S7G APR 3.7037
87 4YDU ADP 3.7037
88 3HQP OXL 3.7037
89 5Y1G AKB 3.7037
90 3VV1 GAL FUC 3.75
91 1DZK PRZ 3.82166
92 1GQG DCD 4
93 1QY1 PRZ 4.02299
94 4LRJ ANP 4.14201
95 1X0P FAD 4.1958
96 5DYO FLU 4.2328
97 4YJK URA 4.2328
98 3K4Z CBI 4.2328
99 3BJE URA 4.2328
100 4X5S AZM 4.2328
101 5HCY 60D 4.2328
102 4AG8 AXI 4.2328
103 1M2K APR 4.2328
104 4ASE AV9 4.2328
105 3VHE 42Q 4.2328
106 3R6K FUC GAL GLA 4.2328
107 3PDT ADP 4.2328
108 2OVD DAO 4.3956
109 4Y24 TD2 4.54545
110 1FHX 4IP 4.65116
111 3A16 PXO 4.7619
112 2VQ5 HBA 4.7619
113 6F4W FMC 4.7619
114 1ODJ GMP 4.7619
115 1OFZ FUC 4.7619
116 1OFZ FUL 4.7619
117 6EWZ APC 4.7619
118 4Y7U 491 4.7619
119 4BXF AKG 4.7619
120 2D6M LBT 5.03145
121 3WG3 A2G GAL NAG FUC 5.05618
122 3OYW TDG 5.22388
123 1UGX GAL MGC 5.26316
124 5KJW 53C 5.29101
125 1YFS ALA 5.29101
126 2WQ4 SFU 5.29101
127 1WUB OTP 5.29101
128 5UR1 YY9 5.29101
129 5EW9 5VC 5.29101
130 3GL0 HXX 5.29101
131 2XVD AS6 5.29101
132 1RJW ETF 5.29101
133 4HWS 1B3 5.29101
134 3NIP 16D 5.29101
135 5JKG 6LF 5.29101
136 5IXG OTP 5.32544
137 1U18 HSM 5.40541
138 1WW5 SGA BGC 5.625
139 5K21 6QF 5.67376
140 6A63 LAT 5.7971
141 4WHZ 3NL 5.82011
142 1J3R 6PG 5.82011
143 3ZV6 4HB 5.82011
144 4LOO SB4 5.82011
145 4B0T ADP 5.82011
146 4NJH SAM 5.82011
147 4NJH 2K8 5.82011
148 3D91 REM 5.82011
149 1OPK P16 5.82011
150 1WTC ACP 5.82011
151 4XWM CBI 5.82011
152 2HFN FMN 5.88235
153 2R0D 4IP 6.05187
154 5TBM 79A 6.08696
155 2AGC DAO 6.17284
156 4ONA UW1 6.34921
157 5XVG 8FX 6.34921
158 4OCX MT1 6.34921
159 6CI9 F3V 6.34921
160 5HA0 LTD 6.41026
161 4S1D 41M 6.87831
162 1ELI PYC 6.87831
163 4G7A AZM 6.87831
164 5DEY 59T 6.87831
165 1F9V ADP 6.87831
166 4G31 0WH 6.87831
167 1MEX RAC 6.87831
168 5W1E PHB 6.87831
169 5NBW 8SK 6.87831
170 5LXB 7A9 6.87831
171 6GZD LCI 6.87831
172 2GC0 PAN 6.91489
173 2E56 MYR 6.94444
174 5WL1 D3D 7.07071
175 5WL1 CUY 7.07071
176 5U98 1KX 7.07071
177 43CA NPO 7.07965
178 1KGI T4A 7.08661
179 5EJL C2E 7.25806
180 1C1L GAL BGC 7.29927
181 3VRY B43 7.40741
182 3U40 ADN 7.40741
183 1LSH PLD 7.40741
184 5OX6 A1Z 7.40741
185 5O9W AKG 7.40741
186 1Y7P RIP 7.62332
187 1VJY 460 7.93651
188 2X2M X2M 7.93651
189 5JSP DQY 7.9602
190 3SAO DBH 8.125
191 3SAO NKN 8.125
192 1MDC PLM 8.33333
193 5HWV MBN 8.46154
194 6G5Q EMZ 8.46561
195 4K55 H6P 8.87097
196 2G36 TRP 8.99471
197 3QPB URA 8.99471
198 3FW3 ETS 8.99471
199 4EWH T77 8.99471
200 4F7E 0SH 9.18367
201 3L9R L9R 9.18367
202 5T96 79J 9.52381
203 5IFK HPA 9.52381
204 1REQ DCA 9.52381
205 5FBN 5WF 9.52381
206 6D61 4AA 9.52381
207 5KEW 6SB 9.72222
208 1OFL NGK GCD 10.0529
209 1MZV AMP 10.0529
210 2RDE C2E 10.0529
211 2Z6C FMN 10.0775
212 5EYK 5U5 10.1695
213 5AIG VPR 10.4
214 5VNF VAL THR SER VAL VAL 10.582
215 4B2Z P5S 10.582
216 4BR5 ANP 10.582
217 6GQM F8H 10.582
218 4CQK PIO 10.6383
219 3ZO7 K6H 10.6383
220 4RF7 ARG 11.1111
221 5YJS SAL 11.1111
222 6GNO XDI 11.1111
223 4AQ4 G3P 11.1111
224 2R09 4IP 11.1111
225 5Y80 IRE 11.1111
226 3A76 SPD 11.3636
227 2NNQ T4B 11.4504
228 2ET1 GLV 11.6402
229 4U0I 0LI 11.6402
230 1VMK GUN 11.6402
231 6DW2 HD4 11.6402
232 1GT4 UNA 11.9497
233 5DQ8 FLF 12.1693
234 4OKD GLC GLC GLC 12.1693
235 4MSG 2C6 12.6984
236 5HES 032 12.6984
237 4KAX 4IP 13.0435
238 5BVE 4VG 13.2275
239 1UNB PN1 13.7566
240 1UNB AKG 13.7566
241 2GMH UQ5 14.2857
242 3MKN DNB 14.2857
243 2GU8 796 14.8148
244 1T0S BML 14.8148
245 3MMH SME 14.9701
246 5OF1 SAL 15.873
247 3ACL 3F1 15.873
248 5EO8 TFU 15.873
249 3IWD M2T 16.1765
250 5H2U 1N1 16.4021
251 1KJ1 MAN 16.5138
252 4D4U FUC 16.9312
253 1Z03 OCH 19.5767
254 3DLG GWE 19.5767
255 5HV0 AKG 25.3968
256 4MN7 SME 30.8725
257 3RMK BML 33.7349
258 5W10 CMP 39.1534
259 1YKD CMP 48.1481
Pocket No.: 2; Query (leader) PDB : 2ZMF; Ligand: CMP; Similar sites found with APoc: 108
This union binding pocket(no: 2) in the query (biounit: 2zmf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1FAO 4IP None
3 3WUD GLC GAL None
4 4WG0 CHD None
5 6A56 LAT None
6 2I5F 5IP None
7 3CBC DBS 1.5873
8 1ND4 KAN 1.5873
9 1F5F DHT 1.5873
10 1KDK DHT 1.69492
11 3NKS FAD 2.1164
12 5H9Q TD2 2.58065
13 1OS7 AKG 2.6455
14 5ZMY TAR 2.6455
15 2Y6O 1N1 2.6455
16 5Y02 MXN 2.80374
17 4MNS 2AX 3.14465
18 4USF 6UI 3.1746
19 2OFV 242 3.1746
20 1UZ4 IFL 3.1746
21 4XFR CIT 3.1746
22 3LJU IP9 3.1746
23 1WD4 AHR 3.1746
24 6CGZ HL6 3.1746
25 4MA6 28E 3.18471
26 4P5Z Q7M 3.7037
27 5OM2 DXT 3.7037
28 3JQ3 ADP 3.7037
29 5T8U LPA 3.7037
30 1C5C TK4 3.7037
31 4EUO ABU 3.7037
32 6BR9 PGV 3.7037
33 3QP6 HL6 3.7037
34 3PP0 03Q 3.7037
35 1A78 TDG 3.73134
36 5L2R MLA 4.2328
37 3WV6 GAL GLC 4.2328
38 5OCG 9R5 4.2328
39 5K4W NAI 4.2328
40 3KFF XBT 4.32099
41 3KFF ZBT 4.32099
42 3M3E GAL A2G NPO 4.34783
43 5MJA 7O3 4.59016
44 2YMZ LAT 4.61538
45 3WUR O4B 4.67836
46 5L8N 6RQ 4.6875
47 5DRB 5FJ 4.7619
48 1OAA OAA 4.7619
49 1OIK AKG 4.7619
50 5GNX BGC 4.7619
51 3I8T LBT 4.87805
52 4UHL VFV 5.29101
53 3Q60 ATP 5.29101
54 1NYW DAU 5.29101
55 2PFY PCA 5.29101
56 3QXV MTX 5.55556
57 3NV3 GAL NAG MAN 5.7971
58 4RYV ZEA 5.80645
59 1EK6 NAI 5.82011
60 1EK6 UPG 5.82011
61 4V03 ADP 5.82011
62 1IS3 LAT 5.92593
63 2WBV SIA 6.34921
64 4NS0 PIO 6.76692
65 4LIT AKG 6.87831
66 5A5W GUO 6.87831
67 3R7F CP 6.87831
68 2QPU QPS 6.87831
69 3QSB 743 6.87831
70 2QPU QPU 6.87831
71 4WO4 JLS 7
72 3F8C HT1 7.14286
73 6F3G CJN 7.40741
74 5YU3 NAD 7.40741
75 5YU3 PRO 7.40741
76 2HK5 1BM 7.40741
77 2H8H H8H 7.40741
78 3VMG 9CA 7.93651
79 3G5N PB2 7.93651
80 2WZE XYP XYP XYP 7.93651
81 2XN5 FUN 8.46561
82 2Q4H AMP 8.46561
83 2W5F XYP XYP XYP 8.46561
84 3DMH GMP 8.46561
85 5F7J ADE 8.99471
86 3H2K BOG 8.99471
87 6CED EYA 9.34579
88 3NRR D16 10.0529
89 5CHR 4NC 10.219
90 5G48 1FL 10.582
91 3WUC GLC GAL 10.9489
92 3G5D 1N1 11.1111
93 3K3G MMU 11.1111
94 5MWE TCE 11.4286
95 5UQD AKG 12.6984
96 3NNF AKG 12.6984
97 3NMV PYV 13.4831
98 2BCG GER 14.8148
99 6CZY PMP 15.3439
100 2ZUX RAM 15.873
101 4D52 GIV 16.9312
102 4D52 GXL 16.9312
103 4J7U NAP 16.9312
104 4J7U YTZ 16.9312
105 5N0L ILE 16.9811
106 1ULE GLA GAL NAG 18
107 5FIT AP2 18.3673
108 4RD0 GDP 19.5767
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