Structure of PDB 4rvw Chain A Binding Site BS02

Receptor Information
>4rvw Chain A (length=610) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSGLLHTSTASDKIISGDTLRQKAVNLGDALDGVPGIHASQYGGGASAP
VIRGQTGRRIKVLNHHGETGDMADFSPDHAIMVDTALSQQVEILRGPVTL
LYSSGNVAGLVDVADGKIPEKMPENGVSGELGLRLSSGNLEKLTSGGINI
GLGKNFVLHTEGLYRKSGDYAVPRYRNLKRLPDSHADSQTGSIGLSWVGE
KGFIGVAYSDRRDQYGLPAHGRPWIDLRNKRYELRAEWKQPFPGFEALRV
HLNRNDYRHDEKAGDAVENFFNNQTQNARIELRHQPIGRLKGSWGVQYLQ
QKSSALSAISEAVKQPMLLDNKVQHYSFFGVEQANWDNFTLEGGVRVEKQ
KASIRQTARSFALSGNWYFTPQHKLSLTASHQERLPSTQELYAHGKHVAT
NTFEVGNKHLNKERSNNIELALGYEGDRWQYNLALYRNRFGNYIYAQTLN
DGRGPKSEMKLVRYNQSGADFYGAEGEIYFKPTPRYRIGVSGDYVRGRLK
NLPDDQNAPRVPAARLGFHLKASLTDRIDANLDYYRVFAQNKLARYETRT
PGHHMLNLGANYRRNTRYGEWNWYVKADNLLNQSVYAHSSFLSDTPQMGR
SFTGGVNVKF
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 chain4rvw Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rvw The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Resolution4.477 Å
Binding residue
(original residue number in PDB)		H86 H87 H330
Binding residue
(residue number reindexed from 1)		H65 H66 H251
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015344 siderophore uptake transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rvw, PDBe:4rvw, PDBj:4rvw
PDBsum4rvw
PubMed26282243
UniProtQ9JZN9|Y964_NEIMB Probable TonB-dependent receptor NMB0964 (Gene Name=NMB0964)

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