2BFN

The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.

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	7
Details	BINDING SITE FOR RESIDUE D2P A1297

Chain	Residue
A	ASP108
A	PRO144
A	PHE151
A	ALA247
A	HIS272
A	HOH2152
A	HOH2337

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A1298

Chain	Residue
A	PRO208
A	HOH2337
A	ASN38
A	TRP109

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A1299

Chain	Residue
A	HIS121
A	GLN165
A	ASP166
A	HOH2157
A	HOH2207

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site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A1300

Chain	Residue
A	ASP149
A	GLN152
A	HOH2185
A	HOH2186
A	HOH2273
A	HOH2274

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A1301

Chain	Residue
A	HOH2019
A	HOH2038
A	HOH2039
A	HOH2040

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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

---

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

---

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

---

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

Chain	Residue	Details
A	ASN38

---

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

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1cv2

Chain	Residue	Details
A	HIS272
A	TRP109
A	GLU132
A	ASP108

---

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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