Structure of PDB 3hwo Chain A

Receptor sequence

>3hwoA (length=379) Species: 83333 (Escherichia coli K-12)

MATLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAALFA
DAKAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRFTRS
QSLNVVERQAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAI
DSGVLLERLIAQNPVSYNFHVPLADGGVLLGASPELLLRKDGERFSSIPL
AGSARRQPDEVLDREAGNRLLASEKDRHEHELVTQAMKEVLRERSSELHV
PSSPQLITTPTLWHLATPFEGKANSQENALTLACLLHPTPALSGFPHQAA
TQVIAELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFAGA
GIVPASSPLGEWRETGVKLSTMLNVFGLH

3D structure

• PDB: 3hwo Crystal Structure of Escherichia coli Enterobactin-specific Isochorismate Synthase (EntC) Bound to its Reaction Product Isochorismate: Implications for the Enzyme Mechanism and Differential Activity of Chorismate-utilizing Enzymes
• Chain: A
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K147 E197 A213 E241 H276 A303 F327 R347 G363 E376 K380
• Catalytic site (residue number reindexed from 1): K135 E185 A201 E229 H264 A291 F315 R335 G351 E364 K368
• Enzyme Commision number: 5.4.4.2: isochorismate synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	A	E241 E376	E229 E364
BS02	MG	A	T140 T142 V145 D146	T128 T130 V133 D134
BS03	ISC	A	G214 S215 E241 H276 I346 R347 A360 G361 E376 K380	G202 S203 E229 H264 I334 R335 A348 G349 E364 K368

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008909 isochorismate synthase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0009239 enterobactin biosynthetic process

External links

• PDB: RCSB:3hwo, PDBe:3hwo, PDBj:3hwo
• PDBsum: 3hwo
• PubMed: 20079748
• UniProt: P0AEJ2|ENTC_ECOLI Isochorismate synthase EntC (Gene Name=entC)