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Receptor
PDB id Resolution Class Description Source Keywords
4Z7X 1.55 Å NON-ENZYME: OTHER MDBA PROTEIN, A THIOL-DISULFIDE OXIDOREDUCTASE FROM ACTINOMY ACTINOMYCES ORIS THIOL-DISULFIDE OXIDOREDUCTASE STRUCTURAL GENOMICS MIDWESTFOR STRUCTURAL GENOMICS MCSG PSI-BIOLOGY OXIDOREDUCTASE
Ref.: A DISULFIDE BOND-FORMING MACHINE IS LINKED TO THE SORTASE-MEDIATED PILUS ASSEMBLY PATHWAY IN THE GRAM BACTERIUM ACTINOMYCES ORIS. J.BIOL.CHEM. V. 290 21393 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3CX B:501;
A:501;
Valid;
Valid;
none;
none;
submit data
237.316 C9 H19 N O4 S C1CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Z7X 1.55 Å NON-ENZYME: OTHER MDBA PROTEIN, A THIOL-DISULFIDE OXIDOREDUCTASE FROM ACTINOMY ACTINOMYCES ORIS THIOL-DISULFIDE OXIDOREDUCTASE STRUCTURAL GENOMICS MIDWESTFOR STRUCTURAL GENOMICS MCSG PSI-BIOLOGY OXIDOREDUCTASE
Ref.: A DISULFIDE BOND-FORMING MACHINE IS LINKED TO THE SORTASE-MEDIATED PILUS ASSEMBLY PATHWAY IN THE GRAM BACTERIUM ACTINOMYCES ORIS. J.BIOL.CHEM. V. 290 21393 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4Z7X - 3CX C9 H19 N O4 S C1CCC(CC1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4Z7X - 3CX C9 H19 N O4 S C1CCC(CC1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4Z7X - 3CX C9 H19 N O4 S C1CCC(CC1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3CX; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3FX 1 1
2 3CX 1 1
3 NHE 0.466667 0.836364
4 CXS 0.4375 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Z7X; Ligand: 3CX; Similar sites found with APoc: 278
This union binding pocket(no: 1) in the query (biounit: 4z7x.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5KJZ PCG None
2 5K8S CMP None
3 5BQ5 ADP BEF None
4 1CLU DBG None
5 2A5J GDP None
6 1G16 GDP None
7 4TMK T5A 0.938967
8 2CJW GDP 1.04167
9 2HT6 GDP 1.14943
10 1JGT CMA 1.68067
11 1JGT APC 1.68067
12 3I9L N1C 1.68067
13 5YAK FMN 1.68067
14 4FN4 NAD 1.68067
15 2IXE ATP 1.68067
16 1EK0 GNP 1.76471
17 1A8R GTP 1.80995
18 4AVB CMP 2.10084
19 2JFZ DGL 2.10084
20 1W5F G2P 2.10084
21 2JFZ 003 2.10084
22 3WDM ADN 2.10084
23 3HU3 AGS 2.10084
24 5ZYN FAD 2.10084
25 2X06 NAD 2.10084
26 5CK5 GDP 2.10084
27 4EI7 GDP 2.10084
28 2VAR ANP 2.10084
29 2PYW ADP 2.10084
30 3FV1 DYH 2.10084
31 4NBT NAD 2.10084
32 1XG5 NAP 2.15054
33 2VG1 FPP 2.19298
34 2CHG ANP 2.21239
35 1U8Z GDP 2.38095
36 2IFW ACE PHE LYS PHE PSA LEU AAR 2.42718
37 1CX4 CMP 2.52101
38 4U82 FPS 2.52101
39 5JBE GLC GLC GLC GLC GLC 2.52101
40 1W5T ANP 2.52101
41 4OFJ HIS 2.52101
42 5N9T 8QQ 2.52101
43 3ZQ6 ADP ALF 2.52101
44 5M42 FMN 2.52101
45 2G37 FAD 2.52101
46 3BFV ADP 2.52101
47 3IWJ NAD 2.52101
48 2FXV 5GP 2.57732
49 4KU7 PCG 2.61438
50 5TZO 7V7 2.65957
51 5XC5 GTP 2.84091
52 3NC9 TR3 2.94118
53 2IMP NAI 2.94118
54 4EN4 GT1 2.94118
55 4EN4 ATP 2.94118
56 1OS1 PYR 2.94118
57 1OS1 ATP 2.94118
58 4C3Y ANB 2.94118
59 3C2O NTM 2.94118
60 1P72 ADP 2.94118
61 4K81 GTP 2.94118
62 1E2K TMC 2.94118
63 5T2U NAP 2.94118
64 2QE0 NAP 2.94118
65 4IEE AGS 2.94118
66 4U0S ADP 2.94118
67 4PJ3 ANP 2.94118
68 5TSH ANP 2.94118
69 2BD0 NAP 2.94118
70 1MV8 NAD 2.94118
71 5JAX 6J7 2.96296
72 2XTN GTP 2.99145
73 2F9L GDP 3.01508
74 5XK9 DMA 3.01724
75 5XK9 GST 3.01724
76 2PTM CMP 3.0303
77 5ZB0 TYD 3.0303
78 5ZB0 ADP 3.0303
79 5D9J 0N8 3.20856
80 5XWV NDP 3.22581
81 5XWV 8H6 3.22581
82 3NW7 LGV 3.36134
83 3OF1 CMP 3.36134
84 2WSA MYA 3.36134
85 2WSA 646 3.36134
86 5L3R GCP 3.36134
87 3LOO B4P 3.36134
88 4C5N PXL 3.36134
89 6GWR FEW 3.36134
90 4XQC 13D 3.36134
91 4XQC NAD 3.36134
92 4C5N ACP 3.36134
93 1W78 ADP 3.36134
94 1W78 PD8 3.36134
95 1J0D 5PA 3.36134
96 2I4I AMP 3.36134
97 2D1S SLU 3.36134
98 5EXW 7DT 3.36134
99 1ETS MID 3.36134
100 2AWN ADP 3.36134
101 1OFH ADP 3.44828
102 6EDV COA 3.60825
103 2BW7 ECS 3.65297
104 4UWJ 7L5 3.78151
105 4UWJ MYA 3.78151
106 5IVE 6E8 3.78151
107 1T90 NAD 3.78151
108 5L3S GNP 3.78151
109 4ITU 1HS 3.78151
110 4ITU NAI 3.78151
111 2Q8Z NUP 3.78151
112 4YMU ATP 3.78151
113 5KR7 6X9 3.78151
114 2HW1 ANP 3.78151
115 3A28 NAD 3.78151
116 1LW4 TLP 3.78151
117 5G5W R8C 3.78151
118 3DC4 ADP 3.78151
119 1YZN GNP 3.78378
120 2CJF RP4 3.82166
121 1AKY AP5 4.09091
122 5UR1 YY9 4.20168
123 4ONC 40B 4.20168
124 1G51 AMO 4.20168
125 4R5M 4NO 4.20168
126 4R5M NAP 4.20168
127 1P4A PCP 4.20168
128 4XF6 ADP 4.20168
129 3O84 HTJ 4.20168
130 1RYI FAD 4.20168
131 5JY4 ISC 4.20168
132 5FFF NAP 4.20168
133 4IDN GNP 4.20168
134 1SYN UMP 4.20168
135 3DEF GDP 4.20168
136 5JXZ ISC 4.20168
137 5FEU NAP 4.20168
138 1EBG PAH 4.20168
139 2ZW5 COA 4.20168
140 4LPS GDP 4.20168
141 5JXZ ISJ 4.20168
142 5GM1 SAH 4.20168
143 1T32 OHH 4.46429
144 4R57 ACO 4.54545
145 3ZS7 ATP 4.62185
146 3WYJ H78 4.62185
147 5K0A FAD 4.62185
148 5ZXD ATP 4.62185
149 1W0J ADP BEF 4.62185
150 3FYH ADP 4.62185
151 2CE7 ADP 4.62185
152 4N9I PCG 4.7619
153 1YRO GDU 4.87805
154 4HGD KGT 5.04202
155 1TLL FMN 5.04202
156 4NBU NAI 5.04202
157 2YW2 ATP 5.04202
158 1O9W NAG 5.08475
159 5OCG GNP 5.29101
160 5UQW GDP 5.29101
161 3Q85 GNP 5.32544
162 1JBW TMF 5.46218
163 1JBW ACQ 5.46218
164 1U7T TDT 5.46218
165 1E6W NAD 5.46218
166 1U7T NAD 5.46218
167 1E3W NAD 5.46218
168 5TCI 79V 5.46218
169 1O5E 132 5.46218
170 4TL6 ANP 5.46218
171 2C42 TPP 5.46218
172 2C42 PYR 5.46218
173 6AMI TRP 5.46218
174 1M4I COA 5.52486
175 1M4I KAN 5.52486
176 1M4I PAP 5.52486
177 1VG8 GNP 5.7971
178 3SHR CMP 5.88235
179 2BEK ATP 5.88235
180 1NJF AGS 5.88235
181 2B8W ALF 5GP 5.88235
182 3UMV FAD 5.88235
183 6CLV 6MB 5.88235
184 3RWO GDP 5.94595
185 1S3G AP5 5.99078
186 3I59 N6S 6.0241
187 3I59 N6R 6.0241
188 3I54 CMP 6.0241
189 5WLB GNP 6.0241
190 2CK3 ADP 6.16438
191 2CK3 ANP 6.16438
192 6FTB M0E 6.19048
193 4WOP CTP 6.22222
194 4OFG PCG 6.25
195 1NE6 SP1 6.30252
196 3QF7 ANP 6.30252
197 2V2V V12 6.30252
198 3ZCN ATP 6.30252
199 5XDT MB3 6.30252
200 1F5N GNP 6.30252
201 4DXD GDP 6.30252
202 5O2T GSP 6.41711
203 3QBT GNP 6.42857
204 2GTE VA 6.45161
205 3Q72 GNP 6.62651
206 4NVP 7CH 6.69856
207 3DZD ADP 6.72269
208 4RJK TPP 6.72269
209 4XPL ACO 6.74847
210 5Z2M GTP 6.81818
211 5KBF CMP 7.14286
212 1TB4 PEJ 7.14286
213 3VZS NAP 7.14286
214 3RLF ANP 7.14286
215 1KQR MNA 7.26257
216 1GUA GNP 7.40741
217 3KUD GDP 7.40741
218 4NMC FAD 7.56302
219 2RHO GSP 7.56302
220 3RG9 WRA 7.56302
221 1WUR 8DG 7.72727
222 5BV6 35G 7.89474
223 1YGC 905 7.93651
224 2PS1 PRP 7.9646
225 4AG8 AXI 7.98319
226 3FSJ D7K 7.98319
227 3AD8 FAD 8.08081
228 3AD8 PYC 8.08081
229 1H65 GDP 8.40336
230 5EKO N17 8.40336
231 6BVM GNP 8.40336
232 5L2Z 70C 8.62069
233 1XEX ATP 8.72093
234 3HRD MCN 8.75
235 2GN4 NDP 8.82353
236 1RY2 AMP 8.82353
237 3QLM PLM 8.87097
238 1Z0A GDP 9.1954
239 2GAG FAD 9.2437
240 2GAG FOA 9.2437
241 2VAP GDP 9.2437
242 2C5L GTP 9.40171
243 4QRH 0O2 9.52381
244 2BCG GDP 9.66387
245 1ZC3 GNP 9.73451
246 3PNA CMP 9.74026
247 3ZIA ADP 9.83607
248 3OCP CMP 10.0719
249 2QTV GNP 10.2041
250 1I1D 16G 10.559
251 1I1D COA 10.559
252 3GE7 AFQ 10.9244
253 4D81 ADP 10.9244
254 5Z69 AGS 10.9244
255 5XKT GNP 11
256 5C8W PCG 11.1888
257 5EGM 5NY 11.2903
258 1TU3 GNP 11.3924
259 2UZI GTP 11.5385
260 1Z0F GDP 11.7318
261 1QF5 GDP 11.7647
262 1QF5 RPL 11.7647
263 4CQM NAP 12.1849
264 4Q9M FPP 12.1849
265 1H74 ADP 12.1849
266 1OFU GDP 12.605
267 4OOP DUP 12.6506
268 2BME GNP 13.9785
269 4HDO GNP 14.2857
270 4ZY1 4U5 14.2857
271 4J56 FAD 17.5439
272 6CI9 NAP 17.6471
273 3ZLM ANP 18.0851
274 4TQG NDP 18.4874
275 1VG9 GDP 18.9076
276 1R4A GNP 19.6078
277 4BTI 7R9 27.0833
278 3ZC7 ATP 33.3333
Pocket No.: 2; Query (leader) PDB : 4Z7X; Ligand: 3CX; Similar sites found with APoc: 201
This union binding pocket(no: 2) in the query (biounit: 4z7x.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1LFD GNP None
2 1JJV ATP None
3 6B8B ADP None
4 1RQ2 CIT 0.840336
5 1F5V FMN 0.840336
6 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.840336
7 4H6Q FAD 0.840336
8 4H6Q TFB 0.840336
9 1BKJ FMN 0.840336
10 2QG6 NMN 1.00503
11 2OO8 RAJ 1.2605
12 1LBZ FBP 1.2605
13 4IXW IXW 1.2605
14 1U7Z PMT 1.32743
15 3AB4 LYS 1.42518
16 2ZEJ GDP 1.63043
17 5IE3 OXD 1.68067
18 5IE3 AMP 1.68067
19 2AE2 PTO 2.10084
20 3QVP FAD 2.10084
21 2AE2 NAP 2.10084
22 5BN3 ADP 2.10084
23 2BLN U5P 2.10084
24 2BLN FON 2.10084
25 3EMY IVA VAL VAL STA ALA STA 2.10084
26 3IQE F42 2.10084
27 3ENV ABF 2.12766
28 1OE0 TTP 2.17391
29 3OVR 5SP 2.19298
30 2I8T GDD 2.39521
31 1N07 ADP 2.45399
32 4I3V NAD 2.52101
33 4L2H AR6 AR6 2.52101
34 1NAA 6FA 2.52101
35 5THQ NDP 2.52101
36 5EYG NAP 2.52101
37 2WOJ ADP ALF 2.52101
38 1P3D ANP 2.52101
39 5X40 ACP 2.52101
40 1V8K ANP 2.52101
41 1X6V ADP 2.52101
42 2AJ4 ANP 2.52101
43 3QXC ATP 2.52101
44 1AE1 NAP 2.52101
45 3ZS9 ADP ALF 2.52101
46 5WS9 AMP 2.52101
47 2IVN ANP 2.52101
48 1S7G APR 2.52101
49 1I1N SAH 2.65487
50 1OSS BEN 2.69058
51 2FR6 CTN 2.73973
52 3FB4 AP5 2.77778
53 3VEH 0GA 2.94118
54 4EN4 GT0 2.94118
55 1KY8 NAP 2.94118
56 1FNN ADP 2.94118
57 1NP7 FAD 2.94118
58 1MV8 GDX 2.94118
59 3A1S GDP 2.94118
60 2P53 NNG 2.94118
61 2D7C GTP 2.99401
62 2JFN GLU 3.15789
63 4NU0 AP5 3.22581
64 1R6B ADP 3.36134
65 1G6O ADP 3.36134
66 2C6Q NDP 3.36134
67 3IES M24 3.36134
68 3PNL ADP 3.36134
69 2RCN GDP 3.36134
70 1JG0 UMP 3.36134
71 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 3.36134
72 4J75 TYM 3.36134
73 1ZUW DGL 3.36134
74 2BGM NAJ 3.36134
75 5UE4 5XQ 3.38983
76 1UKZ ADP 3.44828
77 1UPT GTP 3.50877
78 3BC1 GNP 3.58974
79 1ZIN AP5 3.68664
80 1GPE FAD 3.78151
81 2YNE YNE 3.78151
82 2YNE NHW 3.78151
83 2XNJ NAP 3.78151
84 2XNJ FAD 3.78151
85 4HI0 GDP 3.78151
86 1Z6T ADP 3.78151
87 5L3V GDP 3.78151
88 1WUU ANP 3.78151
89 2ZPA ACO 3.78151
90 1QHO MAL 3.78151
91 1F20 FAD 3.78151
92 2PIA FMN 3.78151
93 3CW9 AMP 3.78151
94 4MKF AP5 4.14747
95 4XF6 INS 4.20168
96 4XF6 LIP 4.20168
97 1MDB AMP DBH 4.20168
98 2C9O ADP 4.20168
99 1RYI GOA 4.20168
100 5MM0 GDD 4.20168
101 2A9W UMP 4.20168
102 1NCE UMP 4.20168
103 6F8A HIS 4.20168
104 2OFW ADX 4.32692
105 3B7G ANP 4.34783
106 2HF9 GSP 4.42478
107 4XVU ATP 4.60829
108 1RJ9 GCP 4.62185
109 5WM2 AMP 4.62185
110 5WM2 SAL 4.62185
111 6HH6 A3R 4.62185
112 2VVT I24 4.62185
113 4DBH OXL 4.62185
114 4YS0 ADP 4.62185
115 2IV3 UDP 4.62185
116 3REF GDP 4.63918
117 1YVD GNP 4.73373
118 2F3R G5P 4.83092
119 3FVQ ATP 5.04202
120 2WBP SIN 5.04202
121 2WBP ZZU 5.04202
122 1TLL FAD 5.04202
123 2IS6 ADP 5.46218
124 4DQL FAD 5.46218
125 1ZCH FMN 5.46218
126 5U32 GDP 5.50847
127 4C4P GNP 5.60748
128 6FA4 GNP 5.78035
129 2EC9 24X 5.88235
130 1NJF ADP 5.88235
131 2ANY BAM 5.88235
132 3B5J 12D 5.88235
133 2DKH FAD 5.88235
134 3KOX Z98 5.88235
135 1OXV ANP 5.88235
136 1FP6 ADP 5.88235
137 4MKG AP5 5.99078
138 2V7Q ADP 6.16438
139 4D5G FAD 6.30252
140 4D5G TPP 6.30252
141 5EXT ADP 6.30252
142 4ZEI LAO 6.30252
143 4QOS ADP 6.30252
144 3N39 FMN 6.30252
145 5GXU FAD 6.30252
146 1VHT BA3 6.42202
147 4RJK TDL 6.72269
148 4QYS PLP SEP 6.72269
149 1VL8 NAP 6.72269
150 1L2T ATP 6.80851
151 5EPO NAP 7.14286
152 3NYQ AMP 7.14286
153 3NYQ MCA 7.14286
154 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 7.14286
155 4GXQ ATP 7.14286
156 1V08 NTZ 7.56302
157 4CFP NAG AMU NAG AMV 7.56302
158 1Z0J GTP 7.64706
159 2CDN ADP 7.9602
160 1EZ4 NAD 7.98319
161 5JFS 6K0 7.98319
162 2VCH UDP 7.98319
163 3ZFD ANP 7.98319
164 3DMH GMP 7.98319
165 3KTA AP5 8.09249
166 2JAQ DCP 8.29268
167 3TMK T5A 8.33333
168 2CXG GLC GLC 8.40336
169 6BVI GNP 8.40336
170 1NHX PEP 8.40336
171 6BVL GNP 8.40336
172 6D56 GNP 8.40336
173 6BVK GNP 8.40336
174 6D5G GNP 8.40336
175 6BVJ GNP 8.40336
176 6D55 GNP 8.40336
177 6D5H GNP 8.40336
178 6D5E GNP 8.40336
179 6D59 GNP 8.40336
180 6D5J GNP 8.40336
181 6D5L GNP 8.40336
182 6D5M GNP 8.40336
183 6D5V GNP 8.40336
184 1NVV GNP 8.40336
185 4RF2 NAP 8.45588
186 3HRD FAD 8.75
187 2AMT GPP 8.80503
188 4MXP DB4 8.82353
189 1BO4 COA 8.92857
190 5HES 032 9.2437
191 2DXU BT5 9.3617
192 2HV8 GTP 9.375
193 5KUT GDP 9.52381
194 3KAP FMN 9.52381
195 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 9.86547
196 4LGY ADP 10.084
197 1Z83 AP5 10.7143
198 1PS9 FMN 10.9244
199 3GGO NAI 11.3445
200 1OJ4 ANP 11.7647
201 3DDC GNP 17.1779
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