Receptor
PDB id Resolution Class Description Source Keywords
1ZX5 2.3 Å EC: 5.-.-.- THE STRUCTURE OF A PUTATIVE MANNOSEPHOSPHATE ISOMERASE FROM ARCHAEOGLOBUS FULGIDUS ARCHAEOGLOBUS FULGIDUS MANNOSE 6-PHOSPHATE ISOMERASE ARCHAEOGLOBUS FULGIDUS STRUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTERSTRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION
Ref.: THE STRUCTURE OF A PUTATIVE MANNOSEPHOSPHATE ISOMER ARCHAEOGLOBUS FULGIDUS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:502;
A:503;
A:504;
A:505;
A:506;
A:507;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
EDO A:800;
A:801;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:700;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LFR A:600;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZX5 2.3 Å EC: 5.-.-.- THE STRUCTURE OF A PUTATIVE MANNOSEPHOSPHATE ISOMERASE FROM ARCHAEOGLOBUS FULGIDUS ARCHAEOGLOBUS FULGIDUS MANNOSE 6-PHOSPHATE ISOMERASE ARCHAEOGLOBUS FULGIDUS STRUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTERSTRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION
Ref.: THE STRUCTURE OF A PUTATIVE MANNOSEPHOSPHATE ISOMER ARCHAEOGLOBUS FULGIDUS TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1ZX5 - LFR C6 H12 O6 C([C@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1ZX5 - LFR C6 H12 O6 C([C@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1ZX5 - LFR C6 H12 O6 C([C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LFR; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZX5; Ligand: LFR; Similar sites found: 103
This union binding pocket(no: 1) in the query (biounit: 1zx5.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NZY BCA 0.003633 0.47502 None
2 1JXZ BCA 0.003606 0.47517 1.11524
3 4CNG SAH 0.02099 0.41819 1.56863
4 3PN1 IVH 0.002048 0.46492 1.66667
5 5MW8 ATP 0.0146 0.42234 1.66667
6 2Y4N DLL 0.03229 0.40869 1.66667
7 2Y4N PAC 0.02519 0.40531 1.66667
8 1NBU PH2 0.00167 0.44987 1.68067
9 4R84 CSF 0.01419 0.42699 2
10 3ZZH NLG 0.004162 0.41851 2
11 3CZ7 ACO 0.0375 0.41357 2
12 3VCY UD1 0.01973 0.41154 2
13 1F76 FMN 0.04936 0.40503 2
14 5BV3 M7G 0.04411 0.40046 2
15 3OOI SAM 0.001913 0.45596 2.15517
16 4IWN GEK 0.01834 0.40886 2.18341
17 3AKK ADP 0.002276 0.4724 2.33333
18 1GP6 SIN 0.01659 0.44059 2.33333
19 1GP6 QUE 0.01751 0.44059 2.33333
20 3GWZ SAH 0.0178 0.42414 2.33333
21 1UPT GTP 0.0281 0.40962 2.33918
22 2HRL SIA GAL SIA BGC NGA CEQ 0.005722 0.4326 2.3622
23 1S4M LUM 0.006506 0.42886 2.38908
24 1S68 AMP 0.006922 0.43946 2.40964
25 1WG8 SAM 0.02834 0.40309 2.45614
26 1ION ADP 0.01891 0.40516 2.46914
27 5COU ATP 0.01213 0.4301 2.64706
28 2ZB3 NDP 0.04621 0.40808 2.66667
29 4ZTE 4RL 0.00142 0.4572 2.8436
30 4F4P 0SB 0.03809 0.4096 2.9304
31 5UAO FAD 0.02151 0.43175 2.95749
32 4C2X NHW 0.02346 0.43898 3
33 1Q3Q ANP 0.01181 0.42579 3
34 4USF 6UI 0.02196 0.42298 3
35 3OTX AP5 0.01204 0.42048 3
36 3B2Q ATP 0.02283 0.41118 3
37 3O7J 2AL 0.02079 0.4032 3.1746
38 2XK9 XK9 0.02739 0.43359 3.33333
39 4PVD NDP 0.01297 0.40861 3.66667
40 2V7O DRN 0.02474 0.404 3.66667
41 2OFW ADX 0.0291 0.40441 3.84615
42 4E03 ADP 0.008897 0.41292 3.8835
43 2D7D ADP 0.00286 0.43199 4
44 3DLS ADP 0.01019 0.42342 4
45 4IX4 ADP 0.01027 0.42026 4
46 1DL5 SAH 0.01347 0.41531 4
47 3KN5 ANP 0.02602 0.40321 4
48 5CGE 51F 0.01406 0.40177 4
49 1VLH PNS 0.007586 0.43138 4.04624
50 4GGL CJC 0.01088 0.41323 4.18605
51 3DNT ATP 0.01709 0.41431 4.31818
52 3V8S 0HD 0.02627 0.4068 4.33333
53 1TL2 NDG 0.004994 0.41846 4.66102
54 3PE2 E1B 0.01274 0.45686 4.66667
55 4V3C C 0.01219 0.41893 4.66667
56 1XDY MTE 0.02694 0.40506 4.69799
57 5C4L 4XR 0.01566 0.43535 5
58 3DCM SAM 0.008382 0.4285 5.20833
59 4K47 WMP 0.02592 0.40515 5.20833
60 1KQN NAD 0.01896 0.43171 5.33333
61 3HAV ATP 0.01187 0.416 5.35117
62 1FUT 2GP 0.004974 0.41971 5.66038
63 4CTA ATP 0.009068 0.43732 5.66667
64 5IQD RIO 0.04688 0.42097 5.66667
65 5IQD GNP 0.04869 0.41835 5.66667
66 3O0G 3O0 0.02445 0.40705 6.04027
67 3UDZ ADP 0.01994 0.40961 6.33333
68 1TU3 GNP 0.015 0.40809 6.43275
69 1GOY 3GP 0.009322 0.40141 6.89655
70 4JGT PYR 0.003507 0.40888 7.02341
71 2BKK ADP 0.01679 0.42009 7.10059
72 1YC5 NCA 0.03129 0.41108 7.31707
73 3NTD COA 0.001611 0.48973 7.33333
74 2QHD DAO 0.04347 0.418 7.37705
75 3KIF GDL 0.00186 0.446 7.54717
76 3ICT COA 0.005415 0.46794 7.66667
77 1GS5 NLG 0.02282 0.4218 7.66667
78 1I8T FAD 0.04284 0.41405 7.66667
79 2VJM COA 0.04167 0.41376 8.17757
80 1VGR COA 0.04112 0.42669 8.19672
81 4MZQ 1VU 0.007277 0.42798 8.33333
82 2VK4 TPP 0.02477 0.40905 8.33333
83 1UKZ AMP 0.01245 0.42042 8.37438
84 1UKZ ADP 0.02541 0.41004 8.37438
85 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.0223 0.40652 8.42105
86 1BYG STU 0.02425 0.40305 8.66667
87 1HFS L04 0.03471 0.40714 8.75
88 1QM5 PLP 0.04323 0.42314 9
89 4INI AMP 0.02479 0.41226 9.23077
90 2FSH ANP 0.0002846 0.50501 10.3333
91 1W55 C 0.01772 0.40072 10.3333
92 4FMU 0UM 0.002449 0.44233 10.4317
93 4JGP PYR 0.0212 0.40291 11.0599
94 5JBE MAL 0.003634 0.42196 11.3333
95 2DJH 3PD UM3 0.01646 0.40204 12.1739
96 1Q7E MET 0.02074 0.40165 12.3333
97 2VSS ACO 0.04791 0.40306 13
98 4C8E C5P 0.01371 0.43241 13.7363
99 4J75 TYM 0.02642 0.41696 15.6667
100 4K81 GTP 0.008268 0.41719 16.3743
101 1MHW BP4 CYS DAR TYR PEA 0.02651 0.40369 16.6667
102 4LWA Q13 0.03591 0.40529 19.3333
103 1KSH GDP 0.008386 0.40225 24.7312
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