1QQ5
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0018784 | molecular_function | (S)-2-haloacid dehalogenase activity |
| A | 0019120 | molecular_function | hydrolase activity, acting on acid halide bonds, in C-halide compounds |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0018784 | molecular_function | (S)-2-haloacid dehalogenase activity |
| B | 0019120 | molecular_function | hydrolase activity, acting on acid halide bonds, in C-halide compounds |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FMT B 1001 |
| Chain | Residue |
| B | ASP8 |
| B | ALA9 |
| B | TYR10 |
| B | SER114 |
| B | ASN115 |
| B | LYS147 |
| B | HOH742 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FMT A 1002 |
| Chain | Residue |
| A | TYR10 |
| A | SER114 |
| A | ASN115 |
| A | LYS147 |
| A | ASP8 |
| A | ALA9 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | Region: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"10521454","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9407083","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"10521454","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9407083","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10521454","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9407083","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AQ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QQ5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QQ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QQ7","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10521454","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1QQ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QQ7","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"10521454","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9407083","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 9 |
| Details | a catalytic site defined by CSA, PubMed 9614112, 10521454 |
| Chain | Residue | Details |
| A | ARG39 | |
| A | THR12 | |
| A | ASP176 | |
| A | PHE175 | |
| A | ASP8 | |
| A | ASN173 | |
| A | LYS147 | |
| A | ASN115 | |
| A | SER171 |
| site_id | CSA2 |
| Number of Residues | 9 |
| Details | a catalytic site defined by CSA, PubMed 9614112, 10521454 |
| Chain | Residue | Details |
| B | ARG39 | |
| B | THR12 | |
| B | ASP176 | |
| B | PHE175 | |
| B | ASP8 | |
| B | ASN173 | |
| B | LYS147 | |
| B | ASN115 | |
| B | SER171 |
| site_id | MCSA1 |
| Number of Residues | 10 |
| Details | M-CSA 36 |
| Chain | Residue | Details |
| A | ASP8 | hydrogen bond acceptor, nucleofuge, nucleophile |
| A | ASP176 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | THR12 | electrostatic stabiliser, hydrogen bond donor |
| A | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| A | SER114 | electrostatic stabiliser |
| A | ASN115 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| A | LYS147 | activator, hydrogen bond donor |
| A | SER171 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN173 | electrostatic stabiliser, hydrogen bond donor |
| A | PHE175 | electrostatic stabiliser, polar/non-polar interaction |
| site_id | MCSA2 |
| Number of Residues | 10 |
| Details | M-CSA 36 |
| Chain | Residue | Details |
| B | ASP8 | hydrogen bond acceptor, nucleofuge, nucleophile |
| B | ASP176 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | THR12 | electrostatic stabiliser, hydrogen bond donor |
| B | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| B | SER114 | electrostatic stabiliser |
| B | ASN115 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| B | LYS147 | activator, hydrogen bond donor |
| B | SER171 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN173 | electrostatic stabiliser, hydrogen bond donor |
| B | PHE175 | electrostatic stabiliser, polar/non-polar interaction |
