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

---

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

---

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

---

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

---

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

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	124
Details	Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"10100638","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"12939138","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"14744129","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"10100638","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"12939138","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"14744129","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"10100638","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"12939138","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"14744129","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14744129","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14744129","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17259360","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1MJ5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BFN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

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)

---