Structure of PDB 4uwq Chain J Binding Site BS01

Receptor Information

>4uwq Chain J (length=547) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DPRSLYDLPPYGDATLLYFSDLHGQAFPHYFMEPPNLIAPKPLMGRPGYL
TGEAILRYYGVERGTPLAYLLSYVDFVELARTFGPIGGMGALTALIRDQK
ARVEAEGGKALVLDGGDTWTNSGLSLLTRGEAVVRWQNLVGVDHMVSHCE
WTLGRERVEELLGLFRGEFLSYNIVDDLFGDPLFPAYRIHRVGPYALAVV
GASYPYVKVSHPESFTEGLSFALDERRLQEAVDKARAEGANAVVLLSHNG
MQLDAALAERIRGIDLILSGHTHDLTPRPWRVGKTWIVAGSAAGKALMRV
DLKLWKGGIANLRVRVLPVLAEHLPKAEDVEAFLKAQLAPHQDHLFTPLA
VSETLLYKRDTLYSTWDQLVGEAVKAIYPEVEVVFSPAVRWGTTILPGQA
ITWDHLYAYTGFTYPELYLFYLRGAQIKAVLEDIASNVFTSDPFYQQGGD
VSRVFGLRYVLDPDAPTGERVREVEVGGRPLDPNRRYLAAAYGGRLQRVG
EAKPGYEPRPIYEVLAEYLRSVGRVRVRPEPNVKVIGRNYRLPEVTG

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

4uwq Chain J Residue 580 [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	4uwq Structural Basis for Specificity and Promiscuity in a Carrier Protein/Enzyme System from the Sulfur Cycle
Resolution	3.28 Å
Binding residue (original residue number in PDB)	D47 H49 D143 H297 H299
Binding residue (residue number reindexed from 1)	D21 H23 D117 H271 H273
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009166	nucleotide catabolic process

	Cellular Component
GO:0030288	outer membrane-bounded periplasmic space

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External links

PDB	RCSB:4uwq, PDBe:4uwq, PDBj:4uwq
PDBsum	4uwq
PubMed	26655737
UniProt	Q72IT0

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