Structure of PDB 3qdk Chain A Binding Site BS01

Receptor Information
>3qdk Chain A (length=546) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYTIGVDYGTESGRAVLIDLSNGQELADHVTPYRHGVIDQYLPNTNIKLG
HEWALQHPLDYVEVLTTSVPAVMKEDADDVIGIGVDFTACTMLPVDEEGQ
PLCLLAQYKDNPHSWVKLWKHHAAQDKANAINEMAEKRGEAFLPRYGGKI
SSEWMIAKVWQILDEAEDVYNRTDQFLEATDWIVSQMTGKIVKNSCTAGY
KAIWHKREGYPSNEFFKALDPRLEHLTTTKLRGDIVPLGERAGGLLPEMA
EKMGLNPGIAVAVGNVDAHAAVPAVGVTTPGKLVMAMGTSICHMLLGEKE
QEVEGMCGVVEDGIIPGYLGYEAGQSAVGDIFAWFVKHGVSAATFDEAQE
KGVNVHALLEEKASQLRPGESGLLALDWWNGNRSILVDTELSGMLLGYTL
QTKPEEIYRALLEATAFGTRAIVDAFHGRGVEVHELYACGGLPQKNHLLM
QIFADVTNREIKVAASKQTPALGAAMFASVAAGSEVGGYDSIEEAAKKMG
RVKDETFKPIPEHVAIYEKLYQEYVTLHDYFGRGANDVMKRLKALK
Ligand information
Ligand IDQDK
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
InChIKeyZAQJHHRNXZUBTE-UCORVYFPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H](O)[C@H](O)C(=O)CO
ACDLabs 12.01O=C(CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)O
OpenEye OEToolkits 1.7.0C([C@@H]([C@@H](C(=O)CO)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)C(=O)CO
FormulaC5 H10 O5
NameL-ribulose
ChEMBL
DrugBankDB03947
ZINCZINC000000902219
PDB chain3qdk Chain A Residue 573 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qdk Structural insight into mechanism and diverse substrate selection strategy of L-ribulokinase.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		T95 A96 W126 D274
Binding residue
(residue number reindexed from 1)		T88 A89 W119 D267
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.16: ribulokinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008741 ribulokinase activity
GO:0016301 kinase activity
GO:0019150 D-ribulokinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation
GO:0019321 pentose metabolic process
GO:0019568 arabinose catabolic process
GO:0019569 L-arabinose catabolic process to xylulose 5-phosphate
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qdk, PDBe:3qdk, PDBj:3qdk
PDBsum3qdk
PubMed22072612
UniProtQ9KBQ3|ARAB_HALH5 Ribulokinase (Gene Name=araB)

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