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Receptor Information

>4gin Chain A (length=555) Species: 1071045 (Rhizobium sp. MX-45) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWIN
PHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVI
NHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEK
DPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFDTV
ATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTA
GEIFGAPLNQVPLFIDSRRKELDMAFTFDLICYDRALDRWHTIPRTLADF
RQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALAT
VTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATA
EELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAARE
IGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGET
YLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSG
IYKVK

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

4gin Chain A Residue 601 [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	4gin Mutations inducing an active-site aperture in Rhizobium sp. sucrose isomerase confer hydrolytic activity
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D22 N24 D26 I28 D30
Binding residue (residue number reindexed from 1)	D20 N22 D24 I26 D28
Annotation score	4

Catalytic site (original residue number in PDB)	D99 R198 D200 E254 H326 D327
Catalytic site (residue number reindexed from 1)	D97 R196 D198 E252 H324 D325
Enzyme Commision number	5.4.11.99

	Biological Process
GO:0005975	carbohydrate metabolic process

PDB	RCSB:4gin, PDBe:4gin, PDBj:4gin
PDBsum	4gin
PubMed	23385465
UniProt	M1E1F6

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Structure of PDB 4gin Chain A Binding Site BS01