1IZ8
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR A 1 |
| Chain | Residue |
| A | ASN38 |
| A | TRP109 |
| A | PHE169 |
| A | PRO208 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 2002 |
| Chain | Residue |
| A | HOH1028 |
| A | GLN165 |
| A | ASP166 |
| A | PRO175 |
| A | ILE178 |
| A | HOH1007 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CA A 2003 |
| Chain | Residue |
| A | HOH1231 |
| A | HOH1231 |
| A | HOH1236 |
| A | HOH1236 |
| A | HOH1271 |
| A | HOH1271 |
| A | HOH1272 |
| A | HOH1272 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 2004 |
| Chain | Residue |
| A | ASP149 |
| A | GLN152 |
| A | GLU233 |
| A | HOH1003 |
| A | HOH1117 |
| A | HOH1276 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PDO A 2001 |
| Chain | Residue |
| A | ASP108 |
| A | PHE143 |
| A | PRO144 |
| A | PHE151 |
| A | LEU177 |
| A | ALA247 |
| A | HIS272 |
| A | HOH1274 |
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 | 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) |
