Structure of PDB 3c8z Chain B Binding Site BS01

Receptor Information
>3c8z Chain B (length=401) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMMQSWSAPAIPVVPGRGPALRLFDSADRQVRPVTPGPTATMYVCGITPY
DATHLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDPLFERAERDGI
DWRTLGDRETQLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGA
AYIVEDAEYPDVYFRADATAQFGYESGYDRDTMLTLFAERGGDPDRPGKS
DQLDALLWRAERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGG
GSDLIFPHHEYSAAHAESVTGERRFARHYVHTGMIGVLVSQLRAQGVDPS
AIRLGLFSGHYREDRFWSNEVLDEANARLARWRSATALPEAPDATDVIAR
VRQYLADDLDTPKALAALDGWCTDALSYGGHDTESPRLVATTVDALLGVD
L
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3c8z Chain B Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3c8z The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C43 C231 H256
Binding residue
(residue number reindexed from 1)		C45 C233 H258
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.1.13: L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase.
Gene Ontology
Molecular Function
GO:0004817 cysteine-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016874 ligase activity
GO:0035446 cysteine-glucosaminylinositol ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006423 cysteinyl-tRNA aminoacylation
GO:0010125 mycothiol biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3c8z, PDBe:3c8z, PDBj:3c8z
PDBsum3c8z
PubMed19053270
UniProtA0QZY0|MSHC_MYCS2 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Gene Name=mshC)

[Back to BioLiP]