BioLiP

Structure of PDB 4umf Chain B Binding Site BS01

Receptor Information

>4umf Chain B (length=173) Species: 857574 (Moraxella catarrhalis BC8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNEIYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQAL
KQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKLGI
ELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGNGA
VREVCELILKAQNNFDAFIATFQ

Ligand information

Ligand ID

PO4

InChI

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

InChIKey

NBIIXXVUZAFLBC-UHFFFAOYSA-K

SMILES

Software	SMILES
CACTVS 3.341	[O-][P]([O-])([O-])=O
ACDLabs 10.04	[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0	[O-]P(=O)([O-])[O-]

Formula

O4 P

Name

PHOSPHATE ION

PDB chain

4umf Chain B Residue 1174 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	4umf Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Resolution	2.28 Å
Binding residue (original residue number in PDB)	D17 V18 D19 T61 K87
Binding residue (residue number reindexed from 1)	D17 V18 D19 T61 K87
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016788	hydrolase activity, acting on ester bonds
GO:0019143	3-deoxy-manno-octulosonate-8-phosphatase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009103	lipopolysaccharide biosynthetic process

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Molecular Function

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Biological Process

PDB	RCSB:4umf, PDBe:4umf, PDBj:4umf
PDBsum	4umf
PubMed	25664734
UniProt	A0A0J9X241