4WDQ

Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0009636	biological_process	response to toxic substance
A	0016787	molecular_function	hydrolase activity
A	0018786	molecular_function	haloalkane dehalogenase activity
A	0042597	cellular_component	periplasmic space

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MG A 301

Chain	Residue
A	HOH456
A	HOH497
A	HOH528
A	HOH578
A	HOH820
A	HOH992

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site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 302

Chain	Residue
A	HOH944
A	HOH536
A	HOH424
A	HOH523
A	HOH806
A	HOH828

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site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 303

Chain	Residue
A	HOH438
A	HOH453
A	HOH496
A	HOH551
A	HOH671
A	HOH822

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site_id	AC4
Number of Residues	5
Details	binding site for residue CL A 304

Chain	Residue
A	ASN38
A	TRP109
A	PHE169
A	TRP207
A	PRO208

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site_id	AC5
Number of Residues	4
Details	binding site for residue CL A 305

Chain	Residue
A	THR216
A	ALA218
A	HOH607
A	HOH961

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Nucleophile => ECO:0000305|PubMed:10100638, ECO:0000305|PubMed:12939138, ECO:0000305|PubMed:14744129

Chain	Residue	Details
A	ASP108

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:10100638, ECO:0000305|PubMed:12939138, ECO:0000305|PubMed:14744129

Chain	Residue	Details
A	GLU132

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site_id	SWS_FT_FI3
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000305|PubMed:10100638, ECO:0000305|PubMed:12939138, ECO:0000305|PubMed:14744129

Chain	Residue	Details
A	HIS272

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site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:14744129

Chain	Residue	Details
A	ASN38

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site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:14744129, ECO:0000269|PubMed:17259360, ECO:0007744|PDB:1MJ5, ECO:0007744|PDB:2BFN

Chain	Residue	Details
A	TRP109

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 467

Chain	Residue	Details
A	ASN38	electrostatic stabiliser
A	ASP108	covalent catalysis
A	TRP109	electrostatic stabiliser
A	GLU132	activator, electrostatic stabiliser
A	HIS272	activator, electrostatic stabiliser, proton shuttle (general acid/base)

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