Receptor
PDB id Resolution Class Description Source Keywords
2GC3 2.1 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROCOCCUS FURIOSUS IN COMPLEX WITH MANNOSE 6-PHOSPHATE A ND ZINC PYROCOCCUS FURIOSUS CUPIN PHOSPHOGLUCOSE ISOMERASE MANNOSE 6-PHOSPHATE
Ref.: EVIDENCE SUPPORTING A CIS-ENEDIOL-BASED MECHANISM FOR PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ISOMERASE J.MOL.BIOL. V. 358 1353 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M6P A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
ZN A:402;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GC0 2 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROCOCCUS FURIOSUS IN COMPLEX WITH 5-PHOSPHO-D- A RABINONOHYDROXAMATE AND ZINC PYROCOCCUS FURIOSUS CUPIN PHOSPHOGLUCOSE ISOMERASE 5-PHOSPHO-D- ARABINONOHYDROXAMATE
Ref.: EVIDENCE SUPPORTING A CIS-ENEDIOL-BASED MECHANISM FOR PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ISOMERASE J.MOL.BIOL. V. 358 1353 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
9 1J3R - 6PG C6 H13 O10 P C([C@H]([C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
9 1J3R - 6PG C6 H13 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M6P; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 BG6 1 1
3 G6P 1 1
4 M6D 1 1
5 BGP 1 1
6 A6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 4QY 0.55102 0.75
16 BMX 0.55102 0.75
17 16G 0.55102 0.75
18 GRF 0.547619 0.692308
19 NNG 0.530612 0.75
20 1FT 0.517857 0.847826
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 T6P 0.470588 0.906977
25 D6G 0.468085 0.951219
26 P3M 0.466667 0.906977
27 GLA 0.461538 0.675
28 GIV 0.461538 0.675
29 WOO 0.461538 0.675
30 GLC 0.461538 0.675
31 ALL 0.461538 0.675
32 BGC 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 MAN 0.461538 0.675
37 GLA BGC 0.45098 0.674419
38 BGC GLA 0.45098 0.674419
39 GLA BMA 0.45098 0.674419
40 LAK 0.45098 0.674419
41 GAL GAL 0.45098 0.674419
42 BMA GLA 0.45098 0.674419
43 MAN BMA 0.45098 0.674419
44 GLA GLC 0.45098 0.674419
45 MLB 0.45098 0.674419
46 N 0.444444 0.777778
47 PPC 0.442308 0.822222
48 GLC GLC GLC 0.433962 0.674419
49 MAN MAN MAN 0.433962 0.674419
50 GLC GLC GLC GLC BGC 0.433962 0.674419
51 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
52 GLC GLC 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GC0; Ligand: PAN; Similar sites found: 249
This union binding pocket(no: 1) in the query (biounit: 2gc0.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4EES FMN 0.001326 0.43741 None
2 3STK PLM 0.004301 0.43281 None
3 1N9L FMN 0.002826 0.41143 None
4 2HKA C3S 0.004538 0.40289 None
5 3E2M E2M 0.04189 0.40212 None
6 2X32 OTP 0.03446 0.40126 None
7 4RFR RHN 0.003013 0.41969 1.59574
8 4OMJ 2TX 0.0111 0.41238 1.59574
9 5U55 S0H 0.007374 0.40794 1.59574
10 4U0I 0LI 0.01471 0.40427 1.59574
11 5A61 3PO 0.002247 0.43623 2.12766
12 4GCZ FMN 0.00138 0.43459 2.12766
13 4FE2 AIR 0.01169 0.40669 2.12766
14 2XVE FAD 0.04438 0.40466 2.12766
15 4NS0 PIO 0.006186 0.43838 2.25564
16 5IXG OTP 0.0328 0.40152 2.36686
17 4CQE CQE 0.00528 0.4321 2.65957
18 4XV1 904 0.006279 0.42392 2.65957
19 2A1L PCW 0.01664 0.41419 2.65957
20 4IGQ THR M3L GLN 0.004401 0.41246 2.65957
21 2Y6Q I7T 0.02262 0.41103 2.65957
22 4OTH DRN 0.006691 0.40812 2.65957
23 2OO8 RAJ 0.00722 0.40665 2.65957
24 2WEI VGG 0.003523 0.40365 2.65957
25 4WOE ADP 0.01202 0.40152 2.65957
26 2PR5 FMN 0.0009176 0.43178 3.0303
27 4MNS 2AX 0.001961 0.46276 3.14465
28 1GT4 UNA 0.0007213 0.43864 3.14465
29 2OVW CBI 0.0009895 0.4698 3.19149
30 5DEY 59T 0.003146 0.45539 3.19149
31 5LUN ARG 0.001817 0.44027 3.19149
32 3PQB VGP 0.001278 0.44009 3.19149
33 3Q8G PEE 0.008405 0.43604 3.19149
34 5IVE 6E8 0.00362 0.43245 3.19149
35 4D06 NAR 0.003894 0.41858 3.19149
36 5LUN OGA 0.0004772 0.41691 3.19149
37 5MZI FYK 0.02493 0.41672 3.19149
38 5MZI FAD 0.02421 0.41672 3.19149
39 1XL8 152 0.01162 0.41596 3.19149
40 4IAW LIZ 0.008742 0.41277 3.19149
41 4QJP V1F 0.007048 0.41203 3.19149
42 1NP7 FAD 0.009586 0.41027 3.19149
43 4FFG LBS 0.004695 0.40955 3.19149
44 2XVD AS6 0.01172 0.40626 3.19149
45 1U3D FAD 0.01491 0.40144 3.19149
46 5ML3 DL3 0.005228 0.4323 3.3557
47 4Y8D 49J 0.02226 0.40131 3.57143
48 5SVV FMN 0.003032 0.42153 3.64964
49 3PUR 2HG 0.001148 0.46965 3.7234
50 5DRB 5FJ 0.008434 0.42935 3.7234
51 3E7O 35F 0.006901 0.42077 3.7234
52 4TWP AXI 0.01791 0.41264 3.7234
53 5UIU 8CG 0.0123 0.4091 3.7234
54 5W10 CMP 0.006541 0.4049 3.7234
55 4P42 PEE 0.01044 0.4043 3.7234
56 3A4V PYR 0.02087 0.40381 3.7234
57 3A4V NAD 0.02087 0.40381 3.7234
58 1ZPT FAD 0.027 0.40041 3.7234
59 3SAO NKN 0.001131 0.42532 3.75
60 2WQ4 SFU 0.001291 0.43487 3.84615
61 5HA0 LTD 0.0139 0.40011 3.84615
62 3T50 FMN 0.003712 0.40699 3.90625
63 5AIG VPR 0.004242 0.42785 4
64 1QY1 PRZ 0.000797 0.44919 4.02299
65 5DKK FMN 0.006289 0.40565 4.13793
66 3SXF BK5 0.001203 0.45865 4.25532
67 1GQG DCD 0.0007238 0.45299 4.25532
68 1T27 PCW 0.003661 0.4449 4.25532
69 4OPC PGT 0.02787 0.43273 4.25532
70 4OPC FDA 0.02531 0.43217 4.25532
71 3LVW GSH 0.005462 0.43029 4.25532
72 1H8S AIC 0.007342 0.42095 4.25532
73 4Q0L V14 0.006007 0.4167 4.25532
74 1ZB6 DIN 0.0117 0.40629 4.25532
75 1Z03 OCH 0.0204 0.40324 4.25532
76 4AZW ATP 0.008112 0.40263 4.25532
77 3W8X FTK 0.003091 0.40236 4.25532
78 5FWJ MMK 0.002552 0.40013 4.25532
79 1C1L GAL BGC 0.002305 0.44919 4.37956
80 1Y9Q MED 0.0001395 0.51524 4.78723
81 5EOB 5QQ 0.004393 0.44911 4.78723
82 4KBA 1QM 0.002218 0.44655 4.78723
83 5W4W 9WG 0.003369 0.43389 4.78723
84 1ZZ7 S0H 0.0003251 0.4328 4.78723
85 5NBW 8SK 0.003806 0.42552 4.78723
86 3SCH TB6 0.0001242 0.42133 4.78723
87 4P5Z Q7M 0.01017 0.41864 4.78723
88 1VJY 460 0.01232 0.40907 4.78723
89 5IH9 6BF 0.01847 0.40424 4.78723
90 2X2M X2M 0.008915 0.40257 4.78723
91 4HXY NDP 0.02004 0.40036 4.78723
92 4JH6 FCN 0.002599 0.44316 5.07246
93 3IS2 FAD 0.004765 0.4242 5.19481
94 2WA4 069 0.00001596 0.53664 5.31915
95 3P3N AKG 0.0003189 0.49993 5.31915
96 1H2M OGA 0.0003509 0.49651 5.31915
97 4GJY OGA 0.000296 0.49497 5.31915
98 1H2K OGA 0.0005723 0.48199 5.31915
99 5A3T MMK 0.0004117 0.47601 5.31915
100 4B7E OGA 0.0008864 0.47482 5.31915
101 5FP3 3JI 0.0008073 0.45088 5.31915
102 3ZJX BOG 0.008604 0.42482 5.31915
103 4YMJ 4EJ 0.009134 0.4232 5.31915
104 1DY4 SNP 0.02168 0.41977 5.31915
105 5HES 032 0.004545 0.41559 5.31915
106 4F4P 0SB 0.03571 0.40693 5.31915
107 4GU5 FAD 0.01135 0.40691 5.31915
108 1MEX RAC 0.001713 0.40625 5.31915
109 4NFN 2KC 0.007355 0.4043 5.31915
110 5HX8 66P 0.01137 0.40408 5.31915
111 2OFV 242 0.01993 0.40268 5.31915
112 2XUM OGA 0.0003311 0.40109 5.31915
113 2Y0I AKG 0.0006455 0.40041 5.31915
114 1ULE GLA GAL NAG 0.008863 0.40784 5.33333
115 1N5S ADL 0.001081 0.43167 5.35714
116 2HZQ STR 0.000609 0.4848 5.74713
117 3MPB FRU 0.0006492 0.45626 5.85106
118 3FW9 SLX 0.001307 0.43562 5.85106
119 5BYZ 4WE 0.004799 0.4268 5.85106
120 4YUW 4JU 0.04589 0.42 5.85106
121 4CCO OGA 0.01038 0.41816 5.85106
122 1DNP FAD 0.006175 0.41762 5.85106
123 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.02412 0.4141 5.85106
124 2JDR L20 0.02412 0.4141 5.85106
125 3OPT AKG 0.01437 0.41335 5.85106
126 5J75 6GQ 0.003734 0.40227 6.06061
127 1EPB REA 0.008118 0.40239 6.09756
128 1KGI T4A 0.001654 0.43875 6.29921
129 1DZK PRZ 0.00031 0.46566 6.36943
130 5HCY 60D 0.001318 0.46616 6.38298
131 3KRR DQX 0.003776 0.4584 6.38298
132 2XMY CDK 0.00929 0.43953 6.38298
133 2VDF OCT 0.003504 0.43704 6.38298
134 4QMN DB8 0.006997 0.42409 6.38298
135 1AE1 NAP 0.01567 0.40652 6.38298
136 5H9Y BGC BGC BGC BGC 0.003735 0.40333 6.38298
137 1VYF OLA 0.009877 0.40385 6.66667
138 1LRH NLA 0.0001579 0.45187 6.74847
139 2AGC DAO 0.001692 0.45233 6.79012
140 3AVR OGA 0.001855 0.45833 6.91489
141 5EW9 5VC 0.04268 0.42053 6.91489
142 2JIG PD2 0.0009074 0.41473 6.91489
143 1MH5 HAL 0.006514 0.41358 6.91489
144 2ZMF CMP 0.005333 0.4088 6.91489
145 3IGO ANP 0.002391 0.40369 6.91489
146 2Z6D FMN 0.002035 0.42718 6.92308
147 3VQ2 LP4 LP5 MYR DAO 0.03029 0.40071 6.94444
148 2YG2 S1P 0.006883 0.40928 6.97674
149 2YG2 FLC 0.009509 0.40762 6.97674
150 1DZT ATY 0.0163 0.41253 7.10383
151 1KTG AMP 0.0146 0.40671 7.24638
152 4HIA FMN 0.00505 0.43074 7.38636
153 2ET1 GLV 0.00004297 0.45511 7.44681
154 3P7N FMN 0.0008371 0.43429 7.44681
155 4BQY FNT 0.001265 0.42011 7.44681
156 4USF 6UI 0.004959 0.41733 7.44681
157 2YAK OSV 0.007608 0.41623 7.44681
158 1OJK GLC BGC 0.0007677 0.41454 7.44681
159 1OJJ GLC GAL 0.0007784 0.41428 7.44681
160 3PDT ADP 0.005644 0.41337 7.44681
161 2XG5 EC5 0.0141 0.40618 7.44681
162 2XG5 EC2 0.0141 0.40618 7.44681
163 4U63 FAD 0.01272 0.40462 7.44681
164 5C5T AKG 0.006167 0.42468 7.45614
165 2E56 MYR 0.01282 0.40705 7.63889
166 2G30 ALA ALA PHE 0.00001249 0.5718 7.97872
167 5A5W GUO 0.005975 0.43272 7.97872
168 2RDQ AKG 0.002728 0.42545 7.97872
169 2RKV ZBA 0.01357 0.41269 7.97872
170 2RKV COA 0.01157 0.41269 7.97872
171 2YKL NLD 0.001694 0.41264 7.97872
172 5VCV 1N1 0.007079 0.41037 7.97872
173 3PUA OGA 0.01779 0.40791 7.97872
174 1WUB OTP 0.02393 0.40567 8.42697
175 3RGA LSB 0.002646 0.41398 8.48057
176 5F3I 5UJ 0.003153 0.457 8.51064
177 2XK9 XK9 0.005867 0.42768 8.51064
178 5HV0 AKG 0.001461 0.42162 8.51064
179 4ITH RCM 0.003643 0.41987 8.51064
180 1GP6 QUE 0.005801 0.41738 8.51064
181 5UR1 YY9 0.01323 0.41717 8.51064
182 1GP6 SIN 0.005864 0.41564 8.51064
183 1GP6 DH2 0.005864 0.41564 8.51064
184 2Q8C AKG 0.01531 0.41279 8.51064
185 1AUA BOG 0.01466 0.41055 8.51064
186 4CCN OGA 0.002906 0.4482 8.57143
187 4R38 RBF 0.004043 0.41601 8.57143
188 3EM0 CHD 0.01013 0.42461 8.69565
189 4XIZ LPP 0.01585 0.40514 8.82353
190 2P7Q GG6 0.0007901 0.4078 9.02256
191 4BVA T3 0.002048 0.45378 9.04255
192 5VC5 96M 0.001806 0.44197 9.04255
193 5BVE 4VG 0.008844 0.43858 9.04255
194 3E8T UQ8 0.01247 0.42832 9.04255
195 2PT9 2MH 0.01519 0.40825 9.04255
196 5JKG 6LF 0.01738 0.40759 9.04255
197 4OCT AKG 0.001715 0.40719 9.04255
198 3E8N VRA 0.02338 0.40703 9.04255
199 3E8N ATP 0.02338 0.40703 9.04255
200 2IUW AKG 0.001732 0.40212 9.04255
201 4PFC 2QX 0.00994 0.40675 9.57447
202 5DQ8 FLF 0.01007 0.40348 9.57447
203 5EYK 5U5 0.009974 0.40811 10.1695
204 2WKQ FMN 0.001739 0.42051 10.6383
205 5JGA 6KC 0.01203 0.40956 10.6383
206 5MRH Q9Z 0.01558 0.4048 10.6383
207 4WHZ 3NL 0.007909 0.43246 11.1702
208 4YZC STU 0.009376 0.41923 11.1702
209 4CJN QNZ 0.01702 0.41036 11.1702
210 4ASE AV9 0.01244 0.40371 11.1702
211 4CQM NAP 0.01658 0.40306 11.1702
212 1MDC PLM 0.009019 0.40402 11.3636
213 3T4L ZEA 0.0002239 0.46685 11.7021
214 4YRD 3IT 0.0003881 0.46985 12.234
215 2GU8 796 0.03094 0.40802 12.234
216 2V0U FMN 0.001798 0.41998 12.3288
217 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00006813 0.48162 12.3894
218 4ZXA H8N 0.002479 0.44417 12.5
219 4MP8 NAD 0.009963 0.4201 12.766
220 1QF5 GDP 0.0237 0.41082 12.766
221 4ZU4 4TG 0.0001738 0.46571 12.8378
222 5DJT FMN 0.001831 0.42919 13.1148
223 3T2W BTN 0.009981 0.41 13.1148
224 2Y7P SAL 0.01872 0.40515 13.7615
225 3H7J PPY 0.002594 0.41287 14.3617
226 4QM9 CYS 0.0001005 0.43754 14.8936
227 2X4Z X4Z 0.003464 0.4372 14.8936
228 3PFG TLO 0.005941 0.43384 14.8936
229 5EFW FMN 0.002184 0.41651 15
230 3QCQ 3Q0 0.01294 0.44192 15.4255
231 1NYW DAU 0.001572 0.4321 15.4255
232 4G31 0WH 0.0147 0.40668 15.9574
233 5DJU FMN 0.002847 0.40512 16.3934
234 1OUK 084 0.006439 0.46385 16.4894
235 4LOO SB4 0.004891 0.40845 16.4894
236 1N4W FAD 0.02703 0.40481 16.4894
237 3G5D 1N1 0.04357 0.40059 16.4894
238 4GGZ BTN 0.01098 0.40395 16.5217
239 5FLJ QUE 0.00001194 0.53017 16.6667
240 5JSP DQY 0.00005213 0.44055 19.6809
241 5TFZ 7BC 0.00002561 0.47489 20.6667
242 4ZU5 THM 0.0002744 0.4581 20.8333
243 5IQT 6CU 0.004046 0.4213 21.2766
244 5IQT AKG 0.00537 0.41056 21.2766
245 4XCB HY0 0.004691 0.42157 21.8085
246 5IXH OTP 0.0272 0.40118 24.8447
247 3KV5 OGA 0.009231 0.42087 26.5957
248 3KV4 OGA 0.01015 0.42051 26.5957
249 5I0U DCY 0.00125 0.41985 27.1277
Pocket No.: 2; Query (leader) PDB : 2GC0; Ligand: PAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gc0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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