Structure of PDB 1bwv Chain A Binding Site BS02
Receptor Information
>1bwv Chain A (length=472) Species:
83374
(Galdieria partita) [
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RIKNSRYESGVIPYAKMGYWNPDYQVKDTDVLALFRVTPQPGVDPIEAAA
AVAGESSTATWTVVWTDLLTAADLYRAKAYKVDQVPNNPEQYFAYIAYEL
DLFEEGSIANLTASIIGNVFGFKAVKALRLEDMRLPLAYLKTFQGPATGV
ILERERLDKFGRPLLGCTTKPKLGLSGKNYGRVVYEALKGGLDFVKDDEN
INSQPFMRWRERYLFTMEAVNKASAATGEVKGHYLNVTAATMEEMYARAN
FAKELGSVIIMIDLVIGYTAIQTMAKWARDNDMILHLHRAGNSTYSRQKN
HGMNFRVICKWMRMAGVDHIHAGTVVGKLEGDPIITRGFYKTLLLPKLER
NLQEGLFFDMEWASLRKVMPVASGGIHAGQMHQLIHYLGEDVVLQFGGGT
IGHPDGIQAGATANRVALEAMILARNENRDYLTEGPEILREAAKTCGALR
TALDLWKDITFNYTSTDTSDFV
Ligand information
Ligand ID
CAP
InChI
InChI=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
InChIKey
ITHCSGCUQDMYAI-ZMIZWQJLSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341
O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04
O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341
O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O
Formula
C6 H14 O13 P2
Name
2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain
1bwv Chain A Residue 491 [
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Receptor-Ligand Complex Structure
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PDB
1bwv
Crystal structure of carboxylase reaction-oriented ribulose 1, 5-bisphosphate carboxylase/oxygenase from a thermophilic red alga, Galdieria partita.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
T173 K175 K201 E204 H294 R295 H327 K334 L335 S379 G380 G403
Binding residue
(residue number reindexed from 1)
T168 K170 K196 E199 H288 R289 H321 K328 L329 S373 G374 G397
Annotation score
2
Enzymatic activity
Catalytic site (original residue number in PDB)
K175 K201 D202 D203 E204 H294 H327 K334
Catalytic site (residue number reindexed from 1)
K170 K196 D197 D198 E199 H288 H321 K328
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bwv
,
PDBe:1bwv
,
PDBj:1bwv
PDBsum
1bwv
PubMed
10336462
UniProt
O98949
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