Structure of PDB 3tw7 Chain B Binding Site BS02

Receptor Information
>3tw7 Chain B (length=1002) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PISKILVANRSEIAIRVFRAANELGIKTVAIWAEEDKLALHRFKADESYQ
VGRGPHLRDLGPIESYLSIDEVIRVAKLSGADAIHPGYGLLSESPEFVDA
CNKAGIIFIGPKADTMRQLGNKVAARNLAISVGVPVVPATEPLPPVMLKA
SMRVIRVYLEKLVERARHVESQILGDTHGNVVHLFERDCSVQRRNQKVVE
RAPAPYLSEAQRQELAAYSLKIAGATNYIGAGTVEYLMDADTGKFYFIEV
NPRIQVEHTVTEVVTGIDIVKAQIHILDGAAIGTPQSGVPNQEDIRLNGH
ALQCRVTTEDPEHNFIPDYGRITAYRSASGFGIRLDGGTSYSGAIITRYY
DPLLVKVTAWAPNPLEAISRMDRALREFRIRGVATNLTFLEAIIGHPKFR
DNSYTTRFIDTTATKLLTYLADVTVNGHPEAKDRPKPLENAARPVVPYGV
KDGTKQLLDTLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDI
ARIAGTYSHALPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNL
LLQMLLRGANGVGYTNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMR
VSMDAIAEENKLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHI
IAVKDMAGLLKPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVE
AGVDAVDAAMDALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYW
EAVRNQYAAFESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQV
AQAYADANQMFGDIVKVAPSSKVVGDMALMMVSQDLTVADVVSPDREVSF
PESVVSMLKGDLGQPPSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAE
RKVIEKKLEREVSDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFY
GLADGEELFADIEKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVP
DR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3tw7 Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tw7 Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D549 K718 H747 H749
Binding residue
(residue number reindexed from 1)		D485 K654 H683 H685
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K124 K166 H216 R242 T281 E283 E297 N299 R301 E305 R353 D549 D655 K718 H747 H749 A882
Catalytic site (residue number reindexed from 1) K122 K149 H168 R194 T233 E235 E249 N251 R253 E257 R305 D485 D591 K654 H683 H685 A818
Enzyme Commision number 6.4.1.1: pyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis
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:3tw7, PDBe:3tw7, PDBj:3tw7
PDBsum3tw7
PubMed21958016
UniProtQ2K340

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