3C6Y
HNL from Hevea brasiliensis to atomic resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0009694 | biological_process | jasmonic acid metabolic process |
| A | 0009696 | biological_process | salicylic acid metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0047606 | molecular_function | (S)-hydroxynitrile lyase activity |
| A | 0052891 | molecular_function | aliphatic (S)-hydroxynitrile lyase activity |
| A | 0052892 | molecular_function | aromatic (S)-hydroxynitrile lyase activity |
| A | 0080030 | molecular_function | methyl indole-3-acetate esterase activity |
| A | 0080031 | molecular_function | methyl salicylate esterase activity |
| A | 0080032 | molecular_function | methyl jasmonate esterase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2001 |
| Chain | Residue |
| A | LYS23 |
| A | LYS170 |
| A | HOH3019 |
| A | HOH3134 |
| A | HOH3172 |
| A | HOH3249 |
| A | HOH3444 |
| A | HOH3495 |
| A | HOH3530 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2002 |
| Chain | Residue |
| A | THR137 |
| A | LYS138 |
| A | ASP139 |
| A | GLY140 |
| A | GLY232 |
| A | GLY233 |
| A | LYS241 |
| A | HOH3224 |
| A | HOH3236 |
| A | HOH3340 |
| A | HOH3380 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2003 |
| Chain | Residue |
| A | LYS141 |
| A | ASN181 |
| A | LYS185 |
| A | HOH3115 |
| A | HOH3128 |
| A | HOH3142 |
| A | HOH3421 |
| A | HOH3488 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2004 |
| Chain | Residue |
| A | THR110 |
| A | GLY195 |
| A | TYR222 |
| A | HOH3257 |
| A | HOH3471 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME A 2005 |
| Chain | Residue |
| A | CYS94 |
| A | GLU95 |
| A | GLU192 |
| A | HOH3356 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACN A 1001 |
| Chain | Residue |
| A | THR11 |
| A | ILE12 |
| A | SER80 |
| A | TRP128 |
| A | LEU148 |
| A | LEU157 |
| A | HIS235 |
| A | HOH3050 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG A 1501 |
| Chain | Residue |
| A | GLN47 |
| A | LYS147 |
| A | ARG174 |
| A | LYS175 |
| A | HOH3149 |
| A | HOH3324 |
| A | HOH3455 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 236 |
| Details | Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"14998991","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"18524775","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10548044","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14998991","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18524775","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3C6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3YAS","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14998991","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SC9","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Site: {"description":"Increases basicity of active site His","evidences":[{"source":"PubMed","id":"18524775","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1c4x |
| Chain | Residue | Details |
| A | ASP207 | |
| A | SER80 | |
| A | THR11 | |
| A | HIS235 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1c4x |
| Chain | Residue | Details |
| A | SER80 | |
| A | ASP207 | |
| A | HIS235 |
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 217 |
| Chain | Residue | Details |
| A | THR11 | electrostatic stabiliser, hydrogen bond donor |
| A | SER80 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| A | CYS81 | electrostatic stabiliser |
| A | ASP207 | electrostatic stabiliser, increase acidity, increase basicity |
| A | HIS235 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LYS236 | activator, electrostatic stabiliser, hydrogen bond donor, steric role |
