Structure of PDB 7c2m Chain A Binding Site BS07

Receptor Information
>7c2m Chain A (length=900) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQSNAMFAWWGRTVYQFRYIVIGVMVALCLGGGVYGISLGNHVTQSGFYD
EGSQSVAASLIGDEVYGRDRTSHVVAILTPPDDKKVTDKAWQKKVTEELD
QVVKDHEDQIVGWVGWLKAPDTTDPTVSAMKTQDLRHTFISIPLQGDDDD
EILKNYQVVEPELQQVNGGDIRLAGLNPLASELTGTIGEDQKRAEVAAIP
LVAVVLFFVFGTVIAAALPAIIGGLAIAGALGIMRLVAEFTPVHFFAQPV
VTLIGLGIAIDYGLFIVSRFREEIAEGYDTEAAVRRTVMTSGRTVVFSAV
IIVASSVPLLLFPQGFLKSITYAIIASVMLAAILSITVLAAALAILGPRV
DALGVTTLLFWGRLVNVVMKRPIAFAAPILVVMVLLIIPLGQLSLGGISE
KYLPPDNAVRQSQEQFDKLFPGFRTEPLTLVMKREDGEPITDAQIADMRA
KALTVSGFTDPDNDPEKMWKERPANDSGSKDPSVRVIQNGLENRNDAAKK
IDELRALQPPHGIEVFVGGTPALEQDSIHSLFDKLPLMALILIVTTTVLM
FLAFGSVVLPIKAALMSALTLGSTMGILTWMFVDGHGSGLMNYTPQPLMA
PMIGLIIAVIWGLSTDYEVFLVSRMVEARERGMSTAEAIRIGTATTGRLI
TGAALILAVVAGAFVFSDLVMMKYLAFGLLIALLLDATIIRMFLVPAVMK
LLGDDCWWAPRWMKRVQEKEFNIFEMLRIDEGLRLKIYKDTEGYYTIGIG
HLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILR
NAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAA
VNLAKSRWYNQTPNRAKRVITTFRTGTWDAYEFHLGGIKAFHHHHHHHHH
Ligand information
Ligand IDMHA
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)CN(CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)N)N(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CN(CC(=O)N)CC(=O)O
FormulaC6 H10 N2 O5
Name(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID;
N-(2-ACETAMIDO)IMINODIACETIC ACID
ChEMBL
DrugBankDB02810
ZINCZINC000002545127
PDB chain7c2m Chain A Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c2m Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F863 S866 N881
Binding residue
(residue number reindexed from 1)		F834 S837 N852
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
Biological Process
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
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:7c2m, PDBe:7c2m, PDBj:7c2m
PDBsum7c2m
PubMed32512002
UniProtA0QP27|MMPL3_MYCS2 Trehalose monomycolate exporter MmpL3 (Gene Name=mmpL3)

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