Structure of PDB 4k1w Chain C

Receptor sequence

>4k1wC (length=384) Species: 279238 (Novosphingobium aromaticivorans DSM 12444)

HMKITAARVIITCPGRNFVTLKIETDQGVYGIGDATLNGRELSVVAYLQE
HVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMRAIAAVDMALWDIKAK
MAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEAVGHYIDMGYKAIRAQ
TGVPGILPSVTGWDTRKALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQ
EAANLGKMLEPYQLFWLEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIW
DAKDLIQNQLIDYIRATVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLS
PVTMGCALHFDTWVPNFGIQEYMRHTEETDAVFPHDYWFEKGELFVGETP
GHGVDIDEELAAKYPYKPAYLPVARLEDGTMWNW

3D structure

• PDB: 4k1w Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate
• Chain: C
• Resolution: 1.646 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G121 R147 Q149 D210 H212 E236 G261 E262 R283 T285 H312 E339 W402
• Catalytic site (residue number reindexed from 1): G122 R148 Q150 D192 H194 E218 G243 E244 R265 T267 H294 E321 W384
• Enzyme Commision number: 4.2.1.8: mannonate dehydratase.

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	C	D210 E236 E262	D192 E218 E244
BS02	CS2	C	N37 R147 D210 H212 E262 H312 D316 E339 L389 W402	N38 R148 D192 H194 E244 H294 D298 E321 L371 W384
BS03	PDO	C	W181 H209 Y215	W163 H191 Y197

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008927 mannonate dehydratase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009063 amino acid catabolic process
• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:4k1w, PDBe:4k1w, PDBj:4k1w
• PDBsum: 4k1w
• UniProt: A4XF23|MAND_NOVAD D-mannonate dehydratase (Gene Name=manD)