Structure of PDB 3vvd Chain A Binding Site BS01

Receptor Information
>3vvd Chain A (length=241) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGSEFQVRSFEEIKRSGEIRIGTEGAFPPFNYFDERNQLTGFEVDLGNAI
AERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPH
YCTGGVIVSRKGGPRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQ
RDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAM
AVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain3vvd Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vvd Two ATP-Binding Cassette Transporters Involved in (S)-2-Aminoethyl-Cysteine Uptake in Thermus thermophilus
Resolution2.05 Å
Binding residue
(original residue number in PDB)		E19 F60 S78 H79 G80 R85 Q123 T126 T127 Y128 E191
Binding residue
(residue number reindexed from 1)		E24 F65 S83 H84 G85 R90 Q128 T131 T132 Y133 E196
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Biological Process
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3vvd, PDBe:3vvd, PDBj:3vvd
PDBsum3vvd
PubMed23794618
UniProtQ72JG5

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