Receptor
PDB id Resolution Class Description Source Keywords
4OJ8 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE IN COMPLEX WITH (3S CARBAPENAM PECTOBACTERIUM CAROTOVORUM SUBSP. CAROORGANISM_TAXID: 555 OXIDOREDUCTASE OXYGENASE IRON 2-OXOGLUTARIC ACID ANTIBIOBIOSYNTHESIS CARBAPENAM
Ref.: MECHANISM OF THE C5 STEREOINVERSION REACTION IN THE BIOSYNTHESIS OF CARBAPENEM ANTIBIOTICS. SCIENCE V. 343 1140 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:302;
A:302;
C:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
GOL B:303;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FE2 C:301;
A:301;
B:301;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
2TQ C:303;
B:304;
Valid;
Valid;
none;
none;
submit data
155.151 C7 H9 N O3 C1C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OJ8 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CARBAPENEM SYNTHASE IN COMPLEX WITH (3S CARBAPENAM PECTOBACTERIUM CAROTOVORUM SUBSP. CAROORGANISM_TAXID: 555 OXIDOREDUCTASE OXYGENASE IRON 2-OXOGLUTARIC ACID ANTIBIOBIOSYNTHESIS CARBAPENAM
Ref.: MECHANISM OF THE C5 STEREOINVERSION REACTION IN THE BIOSYNTHESIS OF CARBAPENEM ANTIBIOTICS. SCIENCE V. 343 1140 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4OJ8 - 2TQ C7 H9 N O3 C1C[C@H](N....
2 1NX8 - N7P C7 H11 N O3 CC(=O)N1CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4OJ8 - 2TQ C7 H9 N O3 C1C[C@H](N....
2 1NX8 - N7P C7 H11 N O3 CC(=O)N1CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4OJ8 - 2TQ C7 H9 N O3 C1C[C@H](N....
2 1NX8 - N7P C7 H11 N O3 CC(=O)N1CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Ligand no: 2; Ligand: 2TQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2TQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OJ8; Ligand: 2TQ; 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: 4oj8.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OJ8; Ligand: AKG; Similar sites found: 361
This union binding pocket(no: 2) in the query (biounit: 4oj8.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.006928 0.4704 None
2 2QLX RM4 0.0008349 0.46931 None
3 1UO4 PIH 0.04677 0.40531 None
4 3MAG 3MA 0.01173 0.43721 1.36519
5 1Q3Q ANP 0.0018 0.43761 1.70648
6 4KQI NIO 0.001151 0.42008 1.70648
7 4KQI RBZ 0.001151 0.42008 1.70648
8 3ZUY TCH 0.003029 0.41428 1.70648
9 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006734 0.4107 1.70648
10 3IOI 1GW 0.003514 0.40437 1.70648
11 3O2K DST 0.009468 0.40401 1.70648
12 2JIG PD2 0.00002752 0.45593 1.78571
13 1NZY BCA 0.001617 0.41059 1.85874
14 3L6R MLI 0.0009529 0.46666 2.04778
15 2XVE FAD 0.002189 0.43733 2.04778
16 1FBL HTA 0.0009975 0.43313 2.04778
17 1YHM AHD 0.003181 0.4295 2.04778
18 2RCN GDP 0.00126 0.42917 2.04778
19 1PX8 XYP 0.004343 0.42367 2.04778
20 3BW2 FMN 0.000858 0.42311 2.04778
21 1LTH NAD 0.004027 0.42115 2.04778
22 1TIW TFB 0.00189 0.42111 2.04778
23 1TIW FAD 0.00189 0.42111 2.04778
24 4E28 9MZ 0.007683 0.41857 2.04778
25 3CQ5 PMP 0.003878 0.41497 2.04778
26 1GQG DCD 0.00354 0.41492 2.04778
27 1Y42 TYR 0.005637 0.41341 2.04778
28 3A1I UNU 0.003213 0.41328 2.04778
29 2CKM AA7 0.004632 0.41006 2.04778
30 1OTH PAO 0.002451 0.40989 2.04778
31 4ASJ N6A 0.0002349 0.4083 2.04778
32 2GWD GLU 0.007039 0.40451 2.04778
33 2FR6 CTN 0.001654 0.40203 2.05479
34 4F8L GAL 0.02522 0.42762 2.06897
35 2ZWS PLM 0.01631 0.43813 2.38908
36 1O9U ADZ 0.00874 0.43585 2.38908
37 4IGQ THR M3L GLN 0.0007283 0.43528 2.38908
38 1SQ5 PAU 0.001809 0.43398 2.38908
39 4M51 BEZ 0.006787 0.4339 2.38908
40 1H16 PYR 0.008314 0.42965 2.38908
41 3TKA CTN 0.02212 0.42497 2.38908
42 3DGB MUC 0.001239 0.42428 2.38908
43 1SQ5 ADP 0.002199 0.41484 2.38908
44 1V6A TRE 0.007092 0.41448 2.38908
45 3LZW FAD 0.003285 0.41242 2.38908
46 3LZW NAP 0.009388 0.41082 2.38908
47 2HGS ADP 0.001126 0.40756 2.38908
48 3F3E LEU 0.004764 0.4055 2.38908
49 1P72 ADP 0.003153 0.40474 2.38908
50 1JGT APC 0.01169 0.4038 2.38908
51 1JGT CMA 0.01097 0.4038 2.38908
52 4NAO AKG 0.00004408 0.40367 2.38908
53 1PVN MZP 0.01966 0.40207 2.38908
54 3E81 SLB 0.0006927 0.45802 2.43902
55 4KGM ATP 0.00271 0.4114 2.44898
56 1TUV VK3 0.01563 0.42311 2.63158
57 1M5B BN1 0.004514 0.42232 2.6616
58 1EYQ NAR 0.006687 0.40541 2.7027
59 4W6Z ETF 0.0007255 0.49014 2.73038
60 1Q11 TYE 0.000357 0.46332 2.73038
61 1GP6 QUE 0.0009584 0.44453 2.73038
62 1GP6 SIN 0.0008754 0.44453 2.73038
63 2VDJ HSE 0.006282 0.43552 2.73038
64 4OYA 1VE 0.007614 0.43254 2.73038
65 2IMP NAI 0.005568 0.43016 2.73038
66 1C0I BE2 0.004019 0.41609 2.73038
67 1C0I FAD 0.004019 0.41609 2.73038
68 2XK9 XK9 0.002831 0.41018 2.73038
69 2YVF NAD 0.01121 0.40984 2.73038
70 3NKS FAD 0.003725 0.40936 2.73038
71 4L7I SAM 0.001535 0.4072 2.73038
72 1UOU CMU 0.002745 0.4067 2.73038
73 2YVF FAD 0.01803 0.40117 2.73038
74 2Y7P SAL 0.0007161 0.45074 2.75229
75 1Q6O LG6 0.001346 0.41352 2.77778
76 1IUP ALQ 0.0008142 0.4239 2.83688
77 4JWX 1N4 0.00126 0.44052 2.85714
78 1EDO NAP 0.009706 0.41602 2.86885
79 1A69 FMB 0.01748 0.40233 2.94118
80 2R40 EPH 0.0005771 0.42985 3.00752
81 2R40 20E 0.0004071 0.42609 3.00752
82 1XX4 BAM 0.04182 0.40138 3.06513
83 2YPO PHE 0.00001366 0.48576 3.07167
84 2WA4 069 0.00008314 0.4482 3.07167
85 2ZJ5 ADP 0.001408 0.44475 3.07167
86 9LDT OXM 0.008763 0.44389 3.07167
87 9LDB NAD 0.0008042 0.42554 3.07167
88 1G8S MET 0.008555 0.41648 3.07167
89 1PFK ADP 0.0002664 0.41101 3.07167
90 1E5F PLP 0.002007 0.40732 3.07167
91 1UXG FUM 0.005526 0.40423 3.07167
92 1UXG NAD 0.005526 0.40423 3.07167
93 3DAG FEG 0.002097 0.40363 3.07167
94 3AYS CT3 0.005795 0.40326 3.07167
95 1I2B NAD 0.01353 0.40262 3.07167
96 1I2B UPG 0.01353 0.40262 3.07167
97 1I2B USQ 0.01353 0.40262 3.07167
98 1T10 F6P 0.01391 0.40183 3.07167
99 4N02 FNR 0.0136 0.40107 3.07167
100 3FXU TSU 0.00239 0.40007 3.07167
101 3ZPG 5GP 0.02977 0.40892 3.14136
102 4AF5 CIT 0.003086 0.43627 3.15789
103 1JH7 UVC 0.007366 0.41376 3.1746
104 3DG6 MUC 0.0003134 0.44135 3.26975
105 1HDR NAD 0.001637 0.43335 3.27869
106 3H7J PPY 0.001384 0.41103 3.29218
107 3I51 45C 0.003777 0.40594 3.33333
108 3BHO B4P 0.01949 0.42556 3.36538
109 4LO2 GAL BGC 0.01659 0.40003 3.40136
110 1ODM ASV 0.0005322 0.45388 3.41297
111 3L24 GOA 0.004509 0.45031 3.41297
112 2PP3 LGT 0.0004626 0.43514 3.41297
113 1R27 MGD 0.0007466 0.4333 3.41297
114 1ZK7 FAD 0.005339 0.41151 3.41297
115 1PL6 572 0.002675 0.40982 3.41297
116 2QV7 ADP 0.001917 0.40803 3.41297
117 1JQ5 NAD 0.0463 0.40778 3.41297
118 2Q8M AMP 0.003483 0.40727 3.41297
119 1DNP FAD 0.008473 0.40615 3.41297
120 3PVT 3HC 0.004165 0.40761 3.4749
121 2JBH 5GP 0.006942 0.40476 3.55556
122 4JCA CIT 0.005009 0.45667 3.59281
123 2EWM NAD 0.00326 0.40423 3.61446
124 2V6O FAD 0.001167 0.45477 3.75427
125 2C7G FAD 0.002754 0.42978 3.75427
126 2C7G ODP 0.003282 0.4261 3.75427
127 2XCG XCG 0.0009508 0.42156 3.75427
128 4KCF AKM 0.006745 0.41108 3.75427
129 4Q0A 4OA 0.001891 0.40007 3.75427
130 1EXB NDP 0.01236 0.41304 3.8835
131 1F5F DHT 0.001836 0.4045 3.90244
132 4IXW IXW 0.0006266 0.44688 3.93701
133 1T26 GBD 0.003194 0.44612 4.03727
134 1T26 NAI 0.003194 0.44612 4.03727
135 3S7O LBV 0.007143 0.41336 4.08163
136 2GSD NAD 0.00006057 0.471 4.09556
137 1KTC NGA 0.0009591 0.44546 4.09556
138 3OND NAD 0.002122 0.42823 4.09556
139 3OND ADN 0.002122 0.42823 4.09556
140 2A1X AKG 0.000001374 0.42612 4.09556
141 1V35 NAI 0.001817 0.42495 4.09556
142 1WRA PC 0.01031 0.41872 4.09556
143 3SHR CMP 0.002781 0.41573 4.09556
144 2R42 FPS 0.0008911 0.40702 4.09556
145 2DKH 3HB 0.007094 0.40131 4.09556
146 4EXO PYR 0.0001612 0.51213 4.10959
147 1MZV AMP 0.001621 0.42489 4.25532
148 1T8U UAP SGN IDS SGN 0.006164 0.40251 4.41176
149 1U7Z PMT 0.001273 0.42123 4.42478
150 2BOI MFU 0.009428 0.40408 4.42478
151 2OG7 SIN 0.000000004244 0.50621 4.43686
152 2VAR KDG 0.001063 0.42679 4.43686
153 3VCA PRO 0.003152 0.42675 4.43686
154 3E6J DR2 0.02805 0.4136 4.43686
155 2HGZ PBF 0.001602 0.40596 4.43686
156 2VAR KDF 0.003875 0.40551 4.43686
157 3JQ3 ADP 0.005142 0.40529 4.43686
158 3I0O SMI 0.01193 0.4047 4.43686
159 3BK2 U5P 0.004728 0.40224 4.43686
160 4P7X AKG 0.001086 0.42501 4.45205
161 2VQ5 LDP 0.01161 0.42964 4.47761
162 1Y7P RIP 0.0007897 0.46269 4.4843
163 1KDK DHT 0.0007091 0.41427 4.51977
164 1VQ2 DDN 0.00009994 0.42998 4.66321
165 4G28 0W8 0.001138 0.43643 4.69799
166 2YLD CMO 0.009654 0.41412 4.72441
167 2F01 BTQ 0.0147 0.40713 4.72441
168 2F01 BTN 0.01766 0.404 4.72441
169 2WMO GTP 0.002741 0.40673 4.73684
170 2C1Q BTN 0.002624 0.41703 4.7619
171 4IAE 1DX 0.009849 0.40448 4.7619
172 5L9V OGA 0.04919 0.40413 4.7619
173 1RYI GOA 0.0001452 0.55976 4.77816
174 1O68 KIV 0.0007746 0.44932 4.77816
175 1SOW NAD 0.0004149 0.43705 4.77816
176 1FIQ SAL 0.0007508 0.42799 4.77816
177 3K37 BCZ 0.007246 0.42449 4.77816
178 1KOL NAD 0.001717 0.42032 4.77816
179 1D6H COA 0.003449 0.4167 4.77816
180 1GSA ADP 0.006533 0.40996 4.77816
181 1NP7 FAD 0.0085 0.40609 4.77816
182 1FIQ MTE 0.003506 0.40179 4.77816
183 4PLG NAI 0.006365 0.40096 4.77816
184 4PLG OXM 0.006365 0.40096 4.77816
185 2JFV FLC 0.01586 0.40445 4.811
186 2RDQ AKG 0.0001238 0.47512 4.86111
187 2NX1 RP5 0.001788 0.40909 4.86891
188 2NX1 PEP 0.002544 0.40381 4.86891
189 1QF5 GDP 0.00751 0.40769 4.87239
190 1QF5 RPL 0.00751 0.40769 4.87239
191 3HQR OGA 0.00005242 0.45646 4.87805
192 2OFE NAG 0.002163 0.44317 4.92958
193 1Y2W NAG 0.003917 0.43165 4.92958
194 3R51 MMA 0.002106 0.46692 5
195 4QVH COA 0.0009009 0.41857 5.01672
196 1DRY AAG 0.0000003752 0.59498 5.11945
197 4B9E FAH 0.01425 0.41216 5.11945
198 4CMF PXG 0.007149 0.41013 5.11945
199 2WBP SIN 0.01546 0.40495 5.11945
200 2WBP ZZU 0.01546 0.40495 5.11945
201 1TOI HCI 0.002679 0.40447 5.11945
202 2O66 FLC 0.007694 0.41295 5.18518
203 2EB5 OXL 0.00362 0.43318 5.24345
204 3VPD ANP 0.0001742 0.43252 5.33808
205 3CEV ARG 0.008545 0.40111 5.35117
206 2Q8H TF4 0.005094 0.44764 5.46075
207 1CKM GTP 0.004396 0.41277 5.46075
208 4IHQ ADP 0.00767 0.40301 5.46075
209 2IXB NAD 0.003969 0.40123 5.46075
210 1Y1A GSH 0.008463 0.45214 5.46448
211 3QP4 HL0 0.001587 0.41097 5.49451
212 1SC3 MLI 0.0087 0.4287 5.68182
213 2YC5 6BC 0.0001009 0.46308 5.70175
214 1PEA ACM 0.004407 0.44295 5.80205
215 1TDF FAD 0.000913 0.44098 5.80205
216 1TDF NAP 0.002422 0.44098 5.80205
217 4WBD ADP 0.004759 0.4343 5.80205
218 4WBD CIT 0.006703 0.43417 5.80205
219 1QO0 BMD 0.00562 0.42464 5.80205
220 3SQG COM 0.03231 0.4139 5.80205
221 2F2U M77 0.003572 0.41148 5.80205
222 2CE7 ADP 0.003883 0.40116 5.80205
223 3ICS FAD 0.02048 0.4003 5.80205
224 2BH9 NAP 0.003157 0.40029 5.80205
225 4JP3 CIT 0.004322 0.40372 5.85774
226 1UCN ADP 0.0002704 0.44371 5.92105
227 2Q09 DI6 0.0009745 0.43915 6.00962
228 2C5S AMP 0.003311 0.41774 6.05327
229 1NHZ 486 0.0004282 0.40582 6.07143
230 3PFG SAM 0.0003777 0.44878 6.08365
231 3PFG TLO 0.0003777 0.44878 6.08365
232 1UNB PN1 0.0002233 0.47876 6.14334
233 1UNB AKG 0.0001883 0.47876 6.14334
234 2YBQ UP2 0.001408 0.42342 6.14334
235 1VDC FAD 0.007427 0.40787 6.14334
236 1NU4 MLA 0.003485 0.47516 6.18557
237 2W3L DRO 0.01318 0.42684 6.25
238 1XE7 GUN 0.001624 0.47258 6.40394
239 4K5S PM0 0.0002742 0.46244 6.48464
240 1X54 4AD 0.0005348 0.42208 6.48464
241 4O8A 2OP 0.02117 0.41644 6.48464
242 1RZM E4P 0.01289 0.41419 6.48464
243 2VJJ RAM GLC GAL NAG NAG GLC 0.005719 0.41337 6.48464
244 3DER ALA LYS 0.001016 0.40514 6.48464
245 3FPZ AHZ 0.02395 0.40476 6.48464
246 2JC9 ADN 0.01172 0.40012 6.48464
247 1EB9 HBA 0.004363 0.40356 6.48855
248 2BLE 5GP 0.01166 0.40786 6.53951
249 3EW2 BTN 0.001815 0.42827 6.66667
250 4OCT AKG 0.001639 0.40243 6.75676
251 5M0T AKG 0.04546 0.41038 6.80272
252 2BO4 FLC 0.0007052 0.47271 6.82594
253 2NCD ADP 0.001177 0.4481 6.82594
254 1GJW GLC 0.002847 0.44465 6.82594
255 1EP2 ORO 0.001753 0.41758 6.82594
256 2XDQ MGX 0.02304 0.41457 6.82594
257 1DLJ UGA 0.01022 0.40427 6.82594
258 1EP2 FAD 0.002121 0.40014 6.82594
259 3RF4 FUN 0.002624 0.42725 6.89655
260 1YOA FMN 0.004796 0.46752 6.91824
261 1GPJ CIT 0.004755 0.42789 6.93069
262 3LTW HLZ 0.008342 0.41697 7.5
263 1DXY COI 0.00343 0.45627 7.50853
264 1XHL NDP 0.0009209 0.42486 7.50853
265 2YIV NBN 0.01049 0.41836 7.50853
266 3GWT 066 0.001346 0.41769 7.50853
267 2HFK E4H 0.01107 0.40117 7.50853
268 3RO7 TDR 0.0005038 0.42805 7.54717
269 2PR5 FMN 0.00005767 0.45126 7.57576
270 1JA9 NDP 0.0245 0.40013 7.66423
271 3MPB FRU 0.00111 0.41422 7.72358
272 4M26 ZZU 0.000001547 0.56588 7.84983
273 4M26 AKG 0.00000001457 0.52905 7.84983
274 1OIK C26 0.000003018 0.51807 7.84983
275 1OIK AKG 0.0000005077 0.4713 7.84983
276 1Z44 NPO 0.01011 0.44964 7.84983
277 4R33 SAH 0.0004108 0.43862 7.84983
278 4R33 TRP 0.0004108 0.43862 7.84983
279 1F1V DHY 0.001307 0.43402 7.84983
280 1Q0H NDP 0.005848 0.41176 7.84983
281 1Q0H FOM 0.005477 0.41109 7.84983
282 3O03 NAP 0.002183 0.4046 7.90378
283 2E1A MSE 0.004924 0.41078 8
284 1C1L GAL BGC 0.001418 0.45866 8.0292
285 2IYG FMN 0.001076 0.4266 8.06452
286 2C4I BTN 0.0004646 0.40279 8.11808
287 3NNF AKG 0.000009988 0.436 8.19113
288 2PT9 2MH 0.002482 0.41221 8.19113
289 2PT9 S4M 0.001731 0.40646 8.19113
290 1YRX FMN 0.0001215 0.45082 8.26446
291 3HY3 10F 0.001744 0.40299 8.37438
292 3NCQ ATP 0.0008929 0.409 8.40336
293 1BTN I3P 0.0009433 0.51218 8.49057
294 1R37 NAD 0.001001 0.42624 8.53242
295 2ZYF AKG 0.004132 0.41385 8.53242
296 1LVL FAD 0.005869 0.40817 8.53242
297 3SSO SAH 0.001036 0.40686 8.53242
298 4K30 NLG 0.001503 0.43734 8.75
299 1OS7 TAU 0.000003766 0.53702 8.83392
300 1OS7 AKG 0.01117 0.41709 8.83392
301 5C3R AKG 0.007939 0.43062 8.87372
302 5C3R HMU 0.007939 0.43062 8.87372
303 4JHG ZEA 0.00282 0.40204 8.92857
304 5C5T AKG 0.02557 0.42316 9.21053
305 4RJK PYR 0.01034 0.42507 9.21502
306 5DRN 5CT 0.04761 0.4016 9.25926
307 1ULE GLA GAL NAG 0.0004614 0.49015 9.33333
308 1I0Z OXM 0.005063 0.44778 9.55631
309 3U1T MLI 0.008973 0.42151 9.55631
310 2XXP DSL 0.02339 0.41657 9.55631
311 2NLI FMN 0.005923 0.41321 9.55631
312 2NLI LAC 0.005923 0.41321 9.55631
313 3PXP MYR 0.001143 0.41165 9.58904
314 4BG1 OGA 0.000000001482 0.58467 9.89761
315 4BG1 IVL 0.000001245 0.56009 9.89761
316 4M5P MLA 0.006563 0.4505 9.89761
317 4KCT FDP 0.0007065 0.43352 9.89761
318 4M5P 23W 0.01375 0.41908 9.89761
319 4M5P FMN 0.0003071 0.41604 9.89761
320 3K3K A8S 0.0002675 0.4242 9.95261
321 1H8G CHT 0.002061 0.48772 10.5263
322 3BY8 MLT 0.01122 0.417 10.5634
323 4NE2 ADP 0.0009766 0.42531 10.5802
324 4GYW UDP 0.001275 0.41989 10.5802
325 3WE0 FAD 0.004246 0.41337 10.5802
326 3F81 STT 0.02571 0.41216 10.5802
327 2BZ1 TAU 0.005395 0.4647 10.7143
328 3Q9T FAY 0.003033 0.41368 10.9215
329 3SIX GDP 0.004153 0.40438 10.9215
330 4G1V FAD 0.03805 0.40241 10.9215
331 2Y6P CTP 0.003302 0.41282 11.5385
332 3PUA OGA 0.00002948 0.43169 11.6041
333 4NTD FAD 0.0012 0.42826 11.6041
334 2VKL MLT 0.01634 0.42961 12.2222
335 4NPL AKG 0.000393 0.40387 12.4
336 3VQ2 LP4 LP5 MYR DAO 0.0143 0.41031 12.5
337 2IUW AKG 0.0005916 0.41419 12.605
338 4J25 OGA 0.00002164 0.43787 12.6638
339 3SJ0 DXC 0.01947 0.40584 12.6761
340 2V7T SAH 0.008474 0.42694 12.9693
341 2NVK NAP 0.003887 0.42015 12.9693
342 1XX6 ADP 0.003516 0.41175 13.089
343 3QDY CBS 0.001165 0.46262 13.2867
344 1Q3P GLU ALA GLN THR ARG LEU 0.001575 0.43075 13.7615
345 1TH8 ADP 0.002821 0.41549 13.7931
346 4LIT AKG 0.0002479 0.40521 13.9932
347 2YDW WSH 0.004377 0.40803 14.3791
348 1OGD RIP 0.008482 0.406 14.5038
349 1Y75 NAG 0.002128 0.42548 15.2542
350 2B4Q NAP 0.0009613 0.42139 15.5797
351 1UF5 CDT 0.001062 0.43206 15.6997
352 1EZV SMA 0.00159 0.40932 15.748
353 1UW1 ADP 0.0006882 0.45814 16.25
354 1T0S BML 0.003349 0.4487 16.2791
355 1YBH FAD 0.001233 0.42895 17.0648
356 3GM5 CIT 0.001311 0.45287 18.8679
357 1ZS6 ADP 0.0005832 0.44813 20.1183
358 5RHN 8BR 0.001918 0.40803 21.7391
359 1LNX URI 0.00829 0.40642 23.4568
360 2V5E SCR 0.02542 0.41944 27.7228
361 1OIJ AKG 0.0000001776 0.46974 31.2292
Pocket No.: 3; Query (leader) PDB : 4OJ8; Ligand: AKG; 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: 4oj8.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4OJ8; Ligand: 2TQ; Similar sites found: 302
This union binding pocket(no: 4) in the query (biounit: 4oj8.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QLX RM4 0.0005719 0.48095 None
2 3S9K CIT 0.007883 0.4704 None
3 1Q3Q ANP 0.001406 0.4344 1.70648
4 2Z9V PXM 0.003139 0.42767 1.70648
5 3IOI 1GW 0.001342 0.41174 1.70648
6 3ZUY TCH 0.007368 0.40266 1.70648
7 2JIG PD2 0.00003413 0.43809 1.78571
8 3L6R MLI 0.0008349 0.47327 2.04778
9 2XVE FAD 0.0007801 0.4469 2.04778
10 1FBL HTA 0.001075 0.43575 2.04778
11 1TIW TFB 0.0006197 0.43071 2.04778
12 1TIW FAD 0.0006197 0.43071 2.04778
13 2RCN GDP 0.001733 0.42755 2.04778
14 1PX8 XYP 0.00632 0.42015 2.04778
15 4E28 9MZ 0.009224 0.41844 2.04778
16 4LHM AZZ 0.007196 0.41769 2.04778
17 1R6W 164 0.001557 0.41507 2.04778
18 3A1I UNU 0.003613 0.41492 2.04778
19 2GWD GLU 0.005032 0.41396 2.04778
20 1YHM AHD 0.01046 0.41058 2.04778
21 3CQ5 PMP 0.007601 0.40664 2.04778
22 4F8L GAL 0.02875 0.42762 2.06897
23 3D2Y AH0 ALA FGA LYS 0.001155 0.41119 2.29885
24 4M51 BEZ 0.001394 0.47087 2.38908
25 3F3E LEU 0.000426 0.4351 2.38908
26 1H16 PYR 0.008287 0.43317 2.38908
27 3DGB MUC 0.001112 0.42994 2.38908
28 3WO0 ALA 0.0005623 0.42972 2.38908
29 3WO0 ADP 0.0005623 0.42972 2.38908
30 3TKA CTN 0.02491 0.42497 2.38908
31 1SQ5 ADP 0.00181 0.42183 2.38908
32 1V6A TRE 0.008691 0.4141 2.38908
33 1SQ5 PAU 0.007206 0.41244 2.38908
34 2YFT DQR 0.002563 0.40723 2.38908
35 2QF7 COA 0.003524 0.40635 2.38908
36 1KBJ FMN 0.001395 0.40232 2.38908
37 2HGS ADP 0.001006 0.40162 2.38908
38 3E81 SLB 0.000874 0.45761 2.43902
39 1TUV VK3 0.04089 0.40498 2.63158
40 2QCX PF1 0.001297 0.45015 2.6616
41 1M5B BN1 0.001696 0.43142 2.6616
42 1OAA OAA 0.003726 0.40885 2.7027
43 1EYQ NAR 0.007951 0.40583 2.7027
44 2VDJ HSE 0.004258 0.44727 2.73038
45 4W6Z ETF 0.00908 0.43844 2.73038
46 1C0I FAD 0.002106 0.4195 2.73038
47 1C0I BE2 0.002106 0.4195 2.73038
48 4OYA 1VE 0.01236 0.41815 2.73038
49 1UOU CMU 0.001896 0.41639 2.73038
50 1Q11 TYE 0.006177 0.41527 2.73038
51 1GP6 SIN 0.002952 0.4149 2.73038
52 2IMP NAI 0.009799 0.41444 2.73038
53 4L7I SAM 0.001377 0.41268 2.73038
54 2YVF NAD 0.007702 0.41009 2.73038
55 3NKS ACJ 0.0001626 0.40737 2.73038
56 1GP6 QUE 0.005468 0.40529 2.73038
57 2YVF FAD 0.01075 0.40406 2.73038
58 2Y7P SAL 0.002811 0.4297 2.75229
59 1Q6O LG6 0.003945 0.40044 2.77778
60 4JWX 1N4 0.001556 0.44052 2.85714
61 1XX4 BAM 0.0178 0.42353 3.06513
62 9LDT OXM 0.006767 0.45329 3.07167
63 2ZJ5 ADP 0.003784 0.42987 3.07167
64 2YPO PHE 0.0004692 0.42412 3.07167
65 3AYS CT3 0.002324 0.42251 3.07167
66 1G8S MET 0.01019 0.41648 3.07167
67 9LDB NAD 0.0009721 0.41506 3.07167
68 1A5Z OXM 0.01982 0.41463 3.07167
69 1I2B USQ 0.007243 0.40687 3.07167
70 1I2B NAD 0.007243 0.40687 3.07167
71 1I2B UPG 0.007243 0.40687 3.07167
72 3FXU TSU 0.001013 0.40512 3.07167
73 1T10 F6P 0.0166 0.40179 3.07167
74 3ZPG 5GP 0.0343 0.40892 3.14136
75 4AF5 CIT 0.007698 0.422 3.15789
76 2YGN PCF 0.00195 0.40217 3.20513
77 1LYX PGA 0.003846 0.40493 3.22581
78 3DG6 MUC 0.0004329 0.44029 3.26975
79 1HDR NAD 0.003925 0.41253 3.27869
80 3I51 45C 0.003888 0.40908 3.33333
81 3HZS M0E 0.003176 0.40934 3.34928
82 3BHO B4P 0.002894 0.47286 3.36538
83 4LO2 GAL BGC 0.0188 0.40003 3.40136
84 1R27 MGD 0.0004043 0.43462 3.41297
85 2PP3 LGT 0.0007122 0.43224 3.41297
86 3L24 GOA 0.01733 0.42414 3.41297
87 2ZJF BSU 0.002656 0.42021 3.41297
88 1ODM ASV 0.00229 0.41949 3.41297
89 1ZK7 FAD 0.002352 0.4178 3.41297
90 2OWZ F6P 0.001849 0.40817 3.41297
91 1PL6 572 0.002458 0.4042 3.41297
92 1EYE PMM 0.003673 0.41003 3.57143
93 4JCA CIT 0.005846 0.45667 3.59281
94 2C7G FAD 0.002674 0.42341 3.75427
95 2C7G ODP 0.00301 0.42076 3.75427
96 2XCG XCG 0.0007049 0.41826 3.75427
97 2V6O FAD 0.00854 0.41453 3.75427
98 3TFC PEP 0.002632 0.4309 3.8961
99 4IXW IXW 0.0004903 0.45524 3.93701
100 1T26 GBD 0.009441 0.42098 4.03727
101 1T26 NAI 0.009441 0.42098 4.03727
102 2GSD NAD 0.00003027 0.47162 4.09556
103 1KTC NGA 0.002152 0.43459 4.09556
104 1ZZ7 S0H 0.002333 0.43311 4.09556
105 3SHR CMP 0.001266 0.43295 4.09556
106 3OND NAD 0.001043 0.43222 4.09556
107 3OND ADN 0.001043 0.43222 4.09556
108 1V35 NAI 0.001721 0.41864 4.09556
109 1WRA PC 0.01459 0.41502 4.09556
110 4EXO PYR 0.008405 0.43287 4.10959
111 1A27 EST 0.003009 0.4047 4.15225
112 3MD0 GDP 0.003929 0.41835 4.22535
113 1U7Z PMT 0.001568 0.41078 4.42478
114 2OG7 SIN 0.000000005563 0.48257 4.43686
115 4HZO COA 0.002831 0.42957 4.43686
116 2VAR KDF 0.001442 0.42562 4.43686
117 2VAR KDG 0.001536 0.42457 4.43686
118 3I0O SMI 0.005291 0.42352 4.43686
119 2HGZ PBF 0.0003376 0.42047 4.43686
120 3P7I P7I 0.01 0.40642 4.43686
121 1C7S CBS 0.00621 0.40126 4.43686
122 4P7X AKG 0.001853 0.40506 4.45205
123 2VQ5 HBA 0.006045 0.433 4.47761
124 2VQ5 LDP 0.04223 0.40426 4.47761
125 1Y7P RIP 0.006742 0.43754 4.4843
126 4G28 0W8 0.0004288 0.45761 4.69799
127 2YLD CMO 0.01187 0.41348 4.72441
128 2WMO GTP 0.003778 0.40522 4.73684
129 4IAE 1DX 0.007238 0.40575 4.7619
130 2C1Q BTN 0.004847 0.40092 4.7619
131 1RYI GOA 0.0001722 0.55976 4.77816
132 1KOL NAD 0.000801 0.42447 4.77816
133 3K37 BCZ 0.006702 0.41967 4.77816
134 4PLG OXM 0.00126 0.41893 4.77816
135 4PLG NAI 0.00126 0.41893 4.77816
136 1SOW NAD 0.0009202 0.41724 4.77816
137 4OB6 S2T 0.001365 0.41715 4.77816
138 1WDA BAG 0.004371 0.41646 4.77816
139 1O68 KIV 0.006922 0.41318 4.77816
140 1NP7 FAD 0.008466 0.4015 4.77816
141 1D6H COA 0.006411 0.40054 4.77816
142 2JFV FLC 0.01876 0.40445 4.811
143 2RDQ AKG 0.0002536 0.45071 4.86111
144 1QF5 GDP 0.002285 0.42007 4.87239
145 1QF5 RPL 0.002285 0.42007 4.87239
146 3HQR OGA 0.0006533 0.40442 4.87805
147 2OFE NAG 0.003502 0.43746 4.92958
148 1Y2W NAG 0.004709 0.43165 4.92958
149 3R51 MMA 0.01612 0.42574 5
150 1DRY AAG 0.0000006501 0.57161 5.11945
151 4B9E FAH 0.01494 0.41453 5.11945
152 2WBP SIN 0.01318 0.41141 5.11945
153 2WBP ZZU 0.01318 0.41141 5.11945
154 2O66 FLC 0.003861 0.42949 5.18518
155 2EB5 OXL 0.002963 0.44074 5.24345
156 3CEV ARG 0.01064 0.40065 5.35117
157 4L6C 0BT 0.0005596 0.4097 5.44554
158 2Q8H TF4 0.007781 0.44185 5.46075
159 2TPL HPP 0.0007877 0.41036 5.46075
160 1E4E PHY 0.002202 0.40962 5.46075
161 1E4E ADP 0.001802 0.40456 5.46075
162 4IHQ ADP 0.009322 0.40301 5.46075
163 1Y1A GSH 0.009687 0.45214 5.46448
164 3QP4 HL0 0.001811 0.4127 5.49451
165 1I7L ATP 0.00009649 0.43597 5.50162
166 1QH9 LAC 0.005637 0.42812 5.60345
167 1SC3 MLI 0.01023 0.4287 5.68182
168 2YC5 6BC 0.00004954 0.46434 5.70175
169 1TDF NAP 0.0009114 0.45006 5.80205
170 4GQB 0XU 0.001905 0.42636 5.80205
171 4WBD CIT 0.01153 0.42617 5.80205
172 3SQG COM 0.03107 0.41797 5.80205
173 1TDF FAD 0.002828 0.41587 5.80205
174 1LDM NAD 0.006388 0.41443 5.80205
175 1QO0 BMD 0.01198 0.41329 5.80205
176 2F2U M77 0.007196 0.40306 5.80205
177 1PEA ACM 0.03495 0.4025 5.80205
178 4WBD ADP 0.02855 0.40123 5.80205
179 4JP3 CIT 0.001038 0.43109 5.85774
180 1UCN ADP 0.00077 0.43098 5.92105
181 2Q09 DI6 0.008685 0.40426 6.00962
182 2C5S AMP 0.009843 0.40204 6.05327
183 4COQ SAN 0.00264 0.443 6.07287
184 3PFG SAM 0.0001039 0.45999 6.08365
185 3PFG TLO 0.0001039 0.45999 6.08365
186 1UNB PN1 0.0009736 0.44286 6.14334
187 1UNB AKG 0.0008455 0.44245 6.14334
188 1VDC FAD 0.003547 0.41324 6.14334
189 2YBQ UP2 0.003 0.40485 6.14334
190 4DQ2 BTX 0.002047 0.40148 6.14334
191 1NU4 MLA 0.004052 0.47516 6.18557
192 2W3L DRO 0.01052 0.43518 6.25
193 1SJW NGV 0.001935 0.41165 6.25
194 2ZSC BTN 0.0006621 0.43342 6.38298
195 1XE7 GUN 0.02898 0.41269 6.40394
196 4K5S PM0 0.0005473 0.44318 6.48464
197 4O8A 2OP 0.02935 0.41241 6.48464
198 2VJJ RAM GLC GAL NAG NAG GLC 0.005928 0.40652 6.48464
199 3DER ALA LYS 0.001315 0.40154 6.48464
200 1EB9 HBA 0.001687 0.423 6.48855
201 2BLE 5GP 0.008434 0.40729 6.53951
202 3EW2 BTN 0.003681 0.41951 6.66667
203 1GJW GLC 0.003246 0.44566 6.82594
204 2NCD ADP 0.002431 0.43825 6.82594
205 1GJW MAL 0.002467 0.42148 6.82594
206 1EP2 ORO 0.001164 0.41645 6.82594
207 2XDQ MGX 0.0328 0.40992 6.82594
208 3RF4 FUN 0.003495 0.42571 6.89655
209 1YOA FMN 0.01849 0.43838 6.91824
210 1GPJ CIT 0.006281 0.42599 6.93069
211 3V1V GST 0.000375 0.43258 7.16724
212 4EPL JAI 0.002585 0.4071 7.16724
213 1CBF SAH 0.003759 0.4012 7.36842
214 3LTW HLZ 0.01199 0.41327 7.5
215 1DXY COI 0.004047 0.45627 7.50853
216 2YIV NBN 0.01239 0.41836 7.50853
217 2HFK E4H 0.00686 0.41334 7.50853
218 3GWT 066 0.001221 0.41176 7.50853
219 1XHL NDP 0.001351 0.41165 7.50853
220 3RO7 TDR 0.0001545 0.43681 7.54717
221 2PR5 FMN 0.0006448 0.41986 7.57576
222 2DWU DGL 0.0102 0.40141 7.6087
223 1JA9 NDP 0.008841 0.41164 7.66423
224 4M26 ZZU 0.000001245 0.55753 7.84983
225 4M26 AKG 0.00000001919 0.50354 7.84983
226 1OIK C26 0.000003918 0.49472 7.84983
227 1OIK AKG 0.0000006422 0.45137 7.84983
228 1F1V DHY 0.001881 0.43141 7.84983
229 1Z44 NPO 0.03027 0.42636 7.84983
230 1Q0H FOM 0.001496 0.42476 7.84983
231 1Q0H NDP 0.001941 0.4226 7.84983
232 3PLN U5P 0.004613 0.42062 7.84983
233 4R33 TRP 0.002009 0.40842 7.84983
234 4R33 SAH 0.002009 0.40842 7.84983
235 2E1A MSE 0.007911 0.40592 8
236 1C1L GAL BGC 0.001713 0.45866 8.0292
237 2IYG FMN 0.001643 0.42344 8.06452
238 3NNF AKG 0.00001229 0.41903 8.19113
239 2PT9 2MH 0.003301 0.4011 8.19113
240 1YRX FMN 0.0002917 0.44141 8.26446
241 2FOI JPA 0.004199 0.41234 8.33333
242 3KJQ B94 0.005435 0.40349 8.42105
243 1BTN I3P 0.001101 0.51218 8.49057
244 2ZYF AKG 0.005063 0.41385 8.53242
245 1R37 NAD 0.001509 0.41263 8.53242
246 4K30 NLG 0.001852 0.43734 8.75
247 1OS7 TAU 0.000003849 0.51728 8.83392
248 1OS7 AKG 0.01303 0.41733 8.83392
249 5C3R HMU 0.01897 0.41557 8.87372
250 5C3R AKG 0.01897 0.41557 8.87372
251 4JHG ZEA 0.001122 0.42023 8.92857
252 4RJK PYR 0.01214 0.42507 9.21502
253 1ULE GLA GAL NAG 0.008053 0.43377 9.33333
254 1I0Z OXM 0.01009 0.4361 9.55631
255 2NLI FMN 0.00433 0.41184 9.55631
256 2NLI LAC 0.00433 0.41184 9.55631
257 3U1T MLI 0.01888 0.40973 9.55631
258 4IMG NGF 0.001065 0.40836 9.55631
259 3PXP MYR 0.002934 0.4011 9.58904
260 4BG1 OGA 0.000000004567 0.57902 9.89761
261 4BG1 IVL 0.000003312 0.52667 9.89761
262 4M5P MLA 0.002041 0.4809 9.89761
263 4M5P 23W 0.002543 0.45817 9.89761
264 4M5P FMN 0.0004283 0.41739 9.89761
265 3K3K A8S 0.0002774 0.42787 9.95261
266 2IZ1 ATR 0.02036 0.40282 10.2389
267 1Y9Q MED 0.003015 0.4404 10.4167
268 1H8G CHT 0.0004485 0.52827 10.5263
269 3BY8 MLT 0.01056 0.42162 10.5634
270 3WE0 FAD 0.001097 0.42755 10.5802
271 4NE2 ADP 0.0005435 0.4263 10.5802
272 3F81 STT 0.02689 0.41436 10.5802
273 4GYW UDP 0.001629 0.40892 10.5802
274 2BZ1 TAU 0.006248 0.4647 10.7143
275 3SIX GDP 0.001072 0.43056 10.9215
276 2Y6P CTP 0.005755 0.40691 11.5385
277 4NTD FAD 0.001708 0.41552 11.6041
278 1V7R CIT 0.003687 0.46728 11.828
279 2BII MTV 0.000738 0.40081 11.9454
280 2VKL MLT 0.03179 0.41743 12.2222
281 2IUW AKG 0.0007116 0.40077 12.605
282 4J25 OGA 0.00002661 0.42082 12.6638
283 2V7T SAH 0.01213 0.41486 12.9693
284 1XX6 ADP 0.004345 0.41175 13.089
285 3QDY CBS 0.00141 0.46262 13.2867
286 1Q3P GLU ALA GLN THR ARG LEU 0.001953 0.43075 13.7615
287 1TH8 ADP 0.004765 0.41016 13.7931
288 1OGD RIP 0.004467 0.42121 14.5038
289 1Y75 NAG 0.0009641 0.44326 15.2542
290 2B4Q NAP 0.0002506 0.43315 15.5797
291 1UF5 CDT 0.007741 0.40181 15.6997
292 1UW1 ADP 0.00085 0.45814 16.25
293 1T0S BML 0.004827 0.44462 16.2791
294 1YBH FAD 0.02544 0.40137 17.0648
295 3GM5 CIT 0.0005195 0.47486 18.8679
296 4N7C AEF 0.006539 0.4314 19.3182
297 1ZS6 ADP 0.007459 0.40697 20.1183
298 5RHN 8BR 0.003377 0.40289 21.7391
299 3PMD 11A 0.00395 0.41339 23.5294
300 2GJ3 FAD 0.00155 0.4076 25
301 2V5E SCR 0.02128 0.42678 27.7228
302 1OIJ AKG 0.0000002251 0.45 31.2292
Pocket No.: 5; Query (leader) PDB : 4OJ8; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4oj8.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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