Structure of PDB 4rdt Chain A Binding Site BS01

Receptor Information
>4rdt Chain A (length=635) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRATSGLLHTSTASDKIISGDTLRQKAVNLGDALDGVPGIHASQYGGGAS
APVIRGQTGRRIKVLNHHGETGDMADFSPDHAIMVDTALSQQVEILRGPV
TLLYSSGNVAGLVDVADGKIPEKMPENGVSGELGLRLSSGNLEKLTSGGI
NIGLGKNFVLHTEGLYRKSGDYAVPRYRNLKRLPDSHADSQTGSIGLSWV
GEKGFIGVAYSDRRDQYGLPAHDCHADIIWQKSLTEEDIDYDNPGLSCGF
GRPWIDLRNKRYELRAEWKQPFPGFEALRVHLNRNDYRHDEKAGDAVENF
FNNQTQNARIELRHQPIGRLKGSWGVQYLQQKSSALSAISEAVKQPMLLD
NKVQHYSFFGVEQANWDNFTLEGGVRVEKQKASIRQTARSFALSGNWYFT
PQHKLSLTASHQERLPSTQELYAHGKHVATNTFEVGNKHLNKERSNNIEL
ALGYEGDRWQYNLALYRNRFGNYIYAQTLNDSEMKLVRYNQSGADFYGAE
GEIYFKPTPRYRIGVSGDYVRGRLKNLPDDQNAPRVPAARLGFHLKASLT
DRIDANLDYYRVFAQNKLARYETRTPGHHMLNLGANYRRNTRYGEWNWYV
KADNLLNQSVYAHSSFLSDTPQMGRSFTGGVNVKF
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 chain4rdt Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4rdt The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D99 H100 E340 H499
Binding residue
(residue number reindexed from 1)		D80 H81 E291 H427
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:4rdt, PDBe:4rdt, PDBj:4rdt
PDBsum4rdt
PubMed26282243
UniProtQ9JZN9|Y964_NEIMB Probable TonB-dependent receptor NMB0964 (Gene Name=NMB0964)

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