Structure of PDB 4mr0 Chain A Binding Site BS01

Receptor Information
>4mr0 Chain A (length=456) 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
SYQGHAIQIAGSKNVLVDNSRFLGQALPKTMKDGQIISKESIQIEPLTRK
GFPYALNDDGKKSENVTIQNSYFGKSDKSGELVTAIGTHYQTLSTQNPSN
IKILNNHFDNMMYAGVRFTGFTDVLIKGNRFDKKVKGESVHYRESGAALV
NAYSYKNTKDLLDLNKQVVIAENIFNIADPKTKAIRVAKDSAEYLGKVSD
ITVTKNVINNNSKETEQPNIELLRVSDNLVVSENSIFGGKEGIVIEDSKG
KITVLNNQFYNLSGKYISFIKSNANGKEPVISDGNFNIVTENGLYKIVTN
NLSDKN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4mr0 Chain A Residue 702 [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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PDB4mr0 Crystal structure of PfbA, a surface adhesin of Streptococcus pneumoniae, provides hints into its interaction with fibronectin
Resolution1.95 Å
Binding residue
(original residue number in PDB)		N399 K401 D422 L424
Binding residue
(residue number reindexed from 1)		N250 K252 D273 L275
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4mr0, PDBe:4mr0, PDBj:4mr0
PDBsum4mr0
PubMed24321492
UniProtQ8CYC9|PFBA_STRR6 Plasmin and fibronectin-binding protein A (Gene Name=pfbA)

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