Structure of PDB 5c2g Chain B Binding Site BS01

Receptor Information
>5c2g Chain B (length=454) Species: 96 (Gallionella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSNRYADLSLKEEDLIKGGNHILVAYTMEPAAGVGYLEAAAHIAAESSTG
TNVEVSTTDEFTKGVDALVYFIDEAKGIMKVAYPNDLFDRNVTDGRVMIV
SFLTLCIGNNQGMGDIANLQMQDFYVPPRMLQLFDGPAKDISDLWRILGR
PVKDGGYISGTIIKPKLGLRPEPFAKAAYQFWLGGDFIKNDEPQGNQVFC
PIKKVLPLVYDSLKRAQDETGQAKLFSMNITADDHYEMCARADFALETFG
PDADKVAFLVDGFVGGPGMVTTARRQYPSQYLHYHRAGHGMVTSPSSKRG
YTAFVLAKMSRLQGASGIHVGTMGYGKMEGGKDDRIIAYMIERDSCTGPF
YHQEWYGMKPTTPIISGGMNALRLPGFFENLGHGNVINTAGGGSYGHIDS
PAAGAVSLRQAYECWKAGADPIEWAKEHKEFARAFESFPKDADKLFPGWR
EKLG
Ligand information
Ligand IDCAP
InChIInChI=1S/C6H14O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3-4,7-8,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)/t3-,4-,6-/m1/s1
InChIKeyITHCSGCUQDMYAI-ZMIZWQJLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O
FormulaC6 H14 O13 P2
Name2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain5c2g Chain B Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5c2g Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria.
Resolution2.597 Å
Binding residue
(original residue number in PDB)		I164 K166 K168 K191 E194 R288 H321 K329 M330 S368 G369 G370 G393 G394
Binding residue
(residue number reindexed from 1)		I162 K164 K166 K189 E192 R286 H319 K327 M328 S366 G367 G368 G391 G392
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K166 K191 N192 D193 E194 H287 H321 K329
Catalytic site (residue number reindexed from 1) K164 K189 N190 D191 E192 H285 H319 K327
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0015977 carbon fixation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5c2g, PDBe:5c2g, PDBj:5c2g
PDBsum5c2g
PubMed26617072
UniProtA0A0X1KHE5

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