Structure of PDB 4ln1 Chain B Binding Site BS01

Receptor Information
>4ln1 Chain B (length=321) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQSMKKGINRVVLVGTGAVGCSYAYCMINQAVAEEFVLVDVNEAKA
EGEAMDLSHAVPFAPAPTRVWKGSYEDCKDADLVVITAGLPQKPGETRLD
LVEKNAKIFKQIVRSIMDSGFDGIFLIATNPVDILTYVTWKESGLPKERV
IGSGTTLDSARFRYMLGEYFDIGPHNIHAYIIGEHGDTELPVWSHVSVGI
QKLQTLLEKDNTYNQEDLDKIFINVRDAAYHIIERKGATYYGIGMSLLRV
TKAILNDENSVLTVSAYLEGQYGQKDVYIGVPAVLNRGGVREILEVELSE
DEELKFDHSVQVLKETMAPVL
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 chain4ln1 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ln1 Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K3 I5 D75
Binding residue
(residue number reindexed from 1)		K10 I12 D82
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R91 D151 R154 H178
Catalytic site (residue number reindexed from 1) R98 D158 R161 H185
Enzyme Commision number 1.1.1.27: L-lactate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004459 L-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Biological Process
GO:0006089 lactate metabolic process
GO:0006090 pyruvate metabolic process
GO:0006096 glycolytic process
GO:0019752 carboxylic acid metabolic process
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:4ln1, PDBe:4ln1, PDBj:4ln1
PDBsum4ln1
PubMed
UniProtQ81EP4|LDH1_BACCR L-lactate dehydrogenase 1 (Gene Name=ldh1)

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