Structure of PDB 8j7o Chain B Binding Site BS01

Receptor Information
>8j7o Chain B (length=687) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAQNRAQKLLHYLGHVMVNGPTTPIPVKASPSPTDPVVPAVPIGPPPAGF
RDILLREGPEGFARAVRNHPGLLLMDTTFRDAHQSLLATRVRTHDLKKIA
PYVAHNFSKLFSMENWGGATFDVAMRFLYECPWRRLQELRELIPNIPFQM
LLRGANAVGYTNYPDNVVFKFCEVAKENGMDVFRVFDSLNYLPNMLLGME
AAGSAGGVVEAAISYTGDVADPSRTKYSLQYYMGLAEELVRAGTHILCIK
DMAGLLKPTACTMLVSSLRDRFPDLPLHIHTHDTSGAGVAAMLACAQAGA
DVVDVAADSMSGMTSQPSMGALVACTRGTPLDTEVPMERVFDYSEYWEGA
RGLYAAFDCTATMKSGNSDVYENEIPGGQYTNLHFQAHSMGLGSKFKEVK
KAYVEANQMLGDLIKVTPSSKIVGDLAQFMVQNGLSRAEAEAQAEELSFP
RSVVEFLQGYIGVPHGGFPEPFRSKVLKDLPRVEGRPGASLPPLDLQALE
KELVDRHGEEVTPEDVLSAAMYPDVFAHFKDFTATFGPLDSLNTRLFLQG
PKIAEEFEVELERGKTLHIKALAVSDLNRAGQRQVFFELNGQLRSILVKD
TQAMKEMHFHPKALKDVKGQIGAPMPGKVIDIKVVAGAKVAKGQPLCVLS
AMKMETVVTSPMEGTVRKVHVTKDMTLEGDDLILEIE
Ligand information
Ligand IDBTI
InChIInChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
InChIKeyARDNWGMSCXSPBF-CIUDSAMLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=CCCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.341O=CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCC=O
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCC=O)NC(=O)N2
FormulaC10 H16 N2 O2 S
Name5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
ChEMBL
DrugBankDB07497
ZINCZINC000036470912
PDB chain8j7o Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8j7o Human pyruvate carboxylase
Resolution3.83 Å
Binding residue
(original residue number in PDB)		A610 Y651 N873 T908 K1144
Binding residue
(residue number reindexed from 1)		A119 Y160 N382 T417 K653
Annotation score1
Enzymatic activity
Enzyme Commision number 6.4.1.1: pyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0009374 biotin binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis
GO:0006629 lipid metabolic process
GO:0006734 NADH metabolic process
GO:0006739 NADP metabolic process
GO:0010629 negative regulation of gene expression
GO:0019074 viral RNA genome packaging
GO:0019076 viral release from host cell
GO:0044794 positive regulation by host of viral process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8j7o, PDBe:8j7o, PDBj:8j7o
PDBsum8j7o
PubMed
UniProtP11498|PYC_HUMAN Pyruvate carboxylase, mitochondrial (Gene Name=PC)

[Back to BioLiP]