Structure of PDB 4mr0 Chain B Binding Site BS01

Receptor Information

>4mr0 Chain B (length=446) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TALSVKDYGAVGDGIHDDRQAIQDAIDAAAQGLGGGNVYFPEGTYLVKEI
VFLKSHTHLELNEKATILNGINIKNHPSIVFMTGLFTDDGAQVEWGPTED
ISYSGGTIDMNGALNEEGTKAKNLPLINSSGAFAIGNSNNVTIKNVTFKD
SYQGHAIQIAGSKNVLVDNSRFLGQALPKTMGQIISKESIQIEPLTRKGF
PYALNDDGKKSENVTIQNSYFGKSDKSGELVTAIGTHYQTLSTQNPSNIK
ILNNHFDNMMYAGVRFTGFTDVLIKGNRFDKKVKGESVHYRESGAALVNA
YSYKNTKDLLDLNKQVVIAENIFNIADPKTKAIRVAKDSAEYLGKVSDIT
VTKNVINNNSKETEQPNIELLRVSDNLVVSENSIFGGKEGIVIEDSKGKI
TVLNNQFYNLSGKYISFIKSGKEPVIRDSGNFNIVTENGLYKIVTN

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

4mr0 Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4mr0 Crystal structure of PfbA, a surface adhesin of Streptococcus pneumoniae, provides hints into its interaction with fibronectin
Resolution	1.95 Å
Binding residue (original residue number in PDB)	N364 V365 T366 N399 K401
Binding residue (residue number reindexed from 1)	N213 V214 T215 N248 K250
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4mr0, PDBe:4mr0, PDBj:4mr0
PDBsum	4mr0
PubMed	24321492
UniProt	Q8CYC9\|PFBA_STRR6 Plasmin and fibronectin-binding protein A (Gene Name=pfbA)

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