Structure of PDB 1r9j Chain B Binding Site BS02

Receptor Information
>1r9j Chain B (length=671) Species: 44270 (Leishmania mexicana mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHMASIEKVANCIRCLAADIVQGGKSGHPGTPMGMAPMSAVLWTEVMKYN
SQDPDWVDRDRFVMSNGHGCALQYALLHMAGYNLTMDDLKGFRQDGSRTP
GHPERFVTPGVEVTTGPLGQGIANAVGLAIAEAHLAATFNRPGYNIVDHY
TYVYCGDGCLMEGVCQEALSLAGHLALEKLIVIYDSNYISIDGSTSLSFT
EQCHQKYVAMGFHVIEVKNGDTDYEGLRKALAEAKATKGKPKMIVQTTTI
GFGSSKQGTEKVHGAPLGEEDIANIKAKFGRDPQKKYDVDDDVRAVFRMH
IDKCSAEQKAWEELLAKYTAAFPAEGAAFVAQMRGELPSGWEAKLPTNSS
AIATRKASENCLAVLFPAIPALMGGSADLTPSNLTRPASANLVDFSSSSK
EGRYIRFGVREHAMCAILNGLDAHDGIIPFGGTFLNFIGYALGAVRLAAI
SHHRVIYVATHDSIGVGEDGPTHQPVELVAALRAMPNLQVIRPSDQTETS
GAWAVALSSIHTPTVLCLSRQNTEPQSGSSIEGVRHGAYSVVDVPDLQLV
IVASGSEVSLAVDAAKALSGELRVRVVSMPCQELFDAQPDTYRQAVLPAG
VPVVSVEAYVSFGWEKYSHAHVGMSGFGASAPAGVLYKKFGITVEEVVRT
GRELAKRFPDGTAPLKNSSFS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1r9j Chain B Residue 2670 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r9j Transketolase from Leishmania mexicana has a dual subcellular localization.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		D155 N185 I187
Binding residue
(residue number reindexed from 1)		D157 N187 I189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H26 I248 H261 E409 H471
Catalytic site (residue number reindexed from 1) H28 I250 H263 E411 H473
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1r9j, PDBe:1r9j, PDBj:1r9j
PDBsum1r9j
PubMed15149284
UniProtQ8MPM3

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