Structure of PDB 1iwa Chain I Binding Site BS01

Receptor Information
>1iwa Chain I (length=473) Species: 83374 (Galdieria partita) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRIKNSRYESGVIPYAKMGYWNPDYQVKDTDVLALFRVTPQPGVDPIEAA
AAVAGESSTATWTVVWTDLLTAADLYRAKAYKVDQVPNNPEQYFAYIAYE
LDLFEEGSIANLTASIIGNVFGFKAVKALRLEDMRLPLAYLKTFQGPATG
VILERERLDKFGRPLLGCTTKPKLGLSGKNYGRVVYEALKGGLDFVKDDE
NINSQPFMRWRERYLFTMEAVNKASAATGEVKGHYLNVTAATMEEMYARA
NFAKELGSVIIMIDLVIGYTAIQTMAKWARDNDMILHLHRAGNSTYSRQK
NHGMNFRVICKWMRMAGVDHIHAGTVVGKLEGDPIITRGFYKTLLLPKLE
RNLQEGLFFDMEWASLRKVMPVASGGIHAGQMHQLIHYLGEDVVLQFGGG
TIGHPDGIQAGATANRVALEAMILARNENRDYLTEGPEILREAAKTCGAL
RTALDLWKDITFNYTSTDTSDFV
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1iwa Chain I Residue 4005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1iwa X-Ray Structure of Galdieria Rubisco Complexed with one sulfate ion per active site
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K175 K334 G403
Binding residue
(residue number reindexed from 1)		K171 K329 G398
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K175 K201 D202 D203 E204 H294 H327 K334
Catalytic site (residue number reindexed from 1) K171 K197 D198 D199 E200 H289 H322 K329
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004497 monooxygenase activity
GO:0016829 lyase activity
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0015977 carbon fixation
GO:0015979 photosynthesis
GO:0019253 reductive pentose-phosphate cycle
Cellular Component
GO:0009507 chloroplast

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Biological Process
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Cellular Component
External links
PDB RCSB:1iwa, PDBe:1iwa, PDBj:1iwa
PDBsum1iwa
PubMed12220629
UniProtO98949

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