Structure of PDB 4lem Chain F Binding Site BS01

Receptor Information
>4lem Chain F (length=538) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDAITQVPVPANEPVHDYAPKSPERTRLRTELASLADHPIDLPHVIGGRH
RMGDGERIDVVQPHRHAARLGTLTNATHADAAAAVEAAMSAKSDWAALPF
DERAAVFLRAADLLAGPWREKIAAATMLGQSKSVYQAEIDAVCELIDFWR
FNVAFARQILEQQPISGPGEWNRIDYRPLDGFVYAITPFNFTSIAGNLPT
APALMGNTVIWKPSITQTLAAYLTMQLLEAAGLPPGVINLVTGDGFAVSD
VALADPRLAGIHFTGSTATFGHLWQWVGTNIGRYHSYPRLVGETGGKDFV
VAHASARPDVLRTALIRGAFDYQGQKCSAVSRAFIAHSVWQRMGDELLAK
AAELRYGDITDLSNYGGALIDQRAFVKNVDAIERAKGAAAVTVAVGGEYD
DSEGYFVRPTVLLSDDPSFVIEYFGPLLSVHVYPDERYEQILDVIDTGSR
YALTGAVIADDRQAVLTALDRLRFAAGNFYVNDKPTGAVVGRQPFGGARG
SDTNDKAGSPLNLLRWTSARSIKETFVAATDHIYPHMA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4lem Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lem Use of a "silver bullet" to resolve crystal lattice dislocation disorder: A cobalamin complex of Delta (1)-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		A385 K386 A388 V391
Binding residue
(residue number reindexed from 1)		A385 K386 A388 V391
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N190 K212 E293 C327 E425 A510
Catalytic site (residue number reindexed from 1) N190 K212 E293 C327 E422 A507
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006560 proline metabolic process
GO:0010133 proline catabolic process to glutamate
Cellular Component
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lem, PDBe:4lem, PDBj:4lem
PDBsum4lem
PubMed25557497
UniProtO50443

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