Structure of PDB 6fpy Chain A Binding Site BS01

Receptor Information

>6fpy Chain A (length=600) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DTAVDGVFIRSLKVNCKVTSRFAHYVVTSQVVNTANEAREVAFDLEIPKT
AFISDFAVTADGNAFIGDIKDKVTAWKQYRKAAISGENAGLVRASGRTME
QFTIHLTVNPQSKVTFQLTYEEVLKRNHMQYEIVIKVKPKQLVHHFEIDV
DIFEPQGISKLDAQASFLPKELAAQTIKKSFSGKKGHVLFRPTVSQQQSC
PTCSTSLLNGHFKVTYDVSRDKICDLLVANNHFAHFFAPQNLTNMNKNVV
FVIDISGSMRGQKVKQTKEALLKILGDMQPGDYFDLVLFGTRVQSWKGSL
VQASEANLQAAQDFVRGFSLDEATNLNGGLLRGIEILNQVQESLPELSNH
ASILIMLTDGDPTEGVTDRSQILKNVRNAIRGRFPLYNLGFGHNVDFNFL
EVMSMENNGRAQRIYEDHDATQQLQGFYSQVAKPLLVDVDLQYPQDAVLA
LTQNHHKQYYEGSEIVVAGRIADNKQSSFKADVQAHGEGQEFSITCLVDE
EEMKKLLRERGHMLENHVERLWAYLTIQELLAKRMKVDREERANLSSQAL
QMSLDYGFVTPLTSMSIRGMADQDGLKPTIDKPSEDPRRTFVLSALQPSP

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

6fpy Chain A Residue 1001 [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	6fpy Heavy chain-1 of inter-alpha-inhibitor has an integrin-like structure with immune regulatory activities
Resolution	2.339 Å
Binding residue (original residue number in PDB)	S300 S302 D403 G404
Binding residue (residue number reindexed from 1)	S256 S258 D359 G360
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6fpy, PDBe:6fpy, PDBj:6fpy
PDBsum	6fpy
PubMed	32144206
UniProt	P19827\|ITIH1_HUMAN Inter-alpha-trypsin inhibitor heavy chain H1 (Gene Name=ITIH1)

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