Structure of PDB 1g6h Chain A Binding Site BS01

Receptor Information
>1g6h Chain A (length=254) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMEILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVI
TGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKEMTVLENL
LIGEICPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGE
LSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKG
ITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEI
YIGE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain1g6h Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1g6h Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F17 F20 N42 G43 G45 K46 S47 T48
Binding residue
(residue number reindexed from 1)		F14 F17 N39 G40 G42 K43 S44 T45
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006865 amino acid transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1g6h, PDBe:1g6h, PDBj:1g6h
PDBsum1g6h
PubMed11470432
UniProtQ58663|LIVG_METJA Probable branched-chain amino acid transport ATP-binding protein LivG (Gene Name=livG)

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