3C6X
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 | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1001 |
| Chain | Residue |
| A | LYS23 |
| A | HOH3056 |
| A | LYS170 |
| A | HOH2030 |
| A | HOH2044 |
| A | HOH2123 |
| A | HOH2155 |
| A | HOH2286 |
| A | HOH2455 |
| A | HOH3040 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1002 |
| Chain | Residue |
| A | THR137 |
| A | LYS138 |
| A | ASP139 |
| A | GLY140 |
| A | GLY232 |
| A | GLY233 |
| A | LYS241 |
| A | HOH2208 |
| A | HOH2243 |
| A | HOH2320 |
| A | HOH2383 |
| A | HOH2386 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1003 |
| Chain | Residue |
| A | THR110 |
| A | GLY195 |
| A | TYR222 |
| A | HOH2212 |
| A | HOH2454 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1004 |
| Chain | Residue |
| A | LYS141 |
| A | ASN181 |
| A | LYS185 |
| A | HOH2086 |
| A | HOH2126 |
| A | HOH2152 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1005 |
| Chain | Residue |
| A | TYR116 |
| A | TRP217 |
| A | LYS229 |
| A | HOH2090 |
| A | HOH2297 |
| A | HOH2400 |
| A | HOH2445 |
| A | HOH3028 |
| A | HOH4014 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME A 1006 |
| Chain | Residue |
| A | CYS94 |
| A | GLU95 |
| 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 | HOH2147 |
| A | HOH2287 |
| A | HOH2417 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:14998991, ECO:0000305|PubMed:18524775 |
| Chain | Residue | Details |
| A | SER80 | |
| A | HIS235 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10548044, ECO:0000269|PubMed:14998991, ECO:0000269|PubMed:18524775, ECO:0007744|PDB:1SCK, ECO:0007744|PDB:3C6Y, ECO:0007744|PDB:3YAS |
| Chain | Residue | Details |
| A | THR11 | |
| A | SER80 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14998991, ECO:0007744|PDB:1SC9 |
| Chain | Residue | Details |
| A | LYS236 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | SITE: Increases basicity of active site His => ECO:0000305|PubMed:18524775 |
| Chain | Residue | Details |
| A | ASP207 |
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 |
