Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0018822 | molecular_function | nitrile hydratase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0046914 | molecular_function | transition metal ion binding |
| B | 0016829 | molecular_function | lyase activity |
| B | 0018822 | molecular_function | nitrile hydratase activity |
| B | 0046914 | molecular_function | transition metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE FE A 300 |
| Chain | Residue |
| A | CYS110 |
| A | SER114 |
| A | HOH2172 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 2001 |
| Chain | Residue |
| B | THR121 |
| B | ARG132 |
| B | LEU208 |
| B | HOH2337 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 2002 |
| Chain | Residue |
| B | GLU31 |
| B | TRP32 |
| A | SER20 |
| A | TRP24 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 2003 |
| Chain | Residue |
| B | GLU134 |
| B | TYR135 |
| B | SER192 |
| B | HOH2182 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 2004 |
| Chain | Residue |
| A | GLN174 |
| A | ARG175 |
| A | HOH2191 |
| A | HOH2207 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 2005 |
| Chain | Residue |
| B | HOH2020 |
| B | HOH2059 |
| B | HOH2064 |
| B | HOH2073 |
| B | HOH2091 |
| B | HOH2224 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 2006 |
| Chain | Residue |
| A | HOH2077 |
| A | HOH2162 |
| B | HOH2214 |
| B | HOH2227 |
| B | HOH2252 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 2007 |
| Chain | Residue |
| A | HOH2238 |
| B | HOH2081 |
| B | HOH2314 |
| B | HOH2321 |
| B | HOH2328 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE IBN B 1000 |
| Chain | Residue |
| A | GLN91 |
| A | HOH2175 |
| B | TYR37 |
| B | MET40 |
| B | TYR72 |
| B | TYR76 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1100 |
| Chain | Residue |
| A | TYR40 |
| A | GLY43 |
| A | TRP44 |
| A | THR47 |
| A | HOH2199 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1200 |
| Chain | Residue |
| A | ASP77 |
| A | GLY78 |
| A | THR79 |
| A | TYR94 |
| A | ILE95 |
| A | HOH2088 |
| B | THR158 |
| site_id | BC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL B 1300 |
| Chain | Residue |
| A | ARG139 |
| A | GLU140 |
| B | GLN11 |
| B | PRO137 |
| B | ASP193 |
| B | THR194 |
| B | ASP195 |
| B | HOH2095 |
| B | HOH2129 |
| B | HOH2170 |
| B | HOH2189 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1400 |
| Chain | Residue |
| B | ARG147 |
| B | GLY148 |
| B | ARG149 |
| B | HOH2089 |
| B | HOH2133 |
| B | HOH2288 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1500 |
| Chain | Residue |
| A | TYR161 |
| B | SER154 |
| B | HIS155 |
| B | HIS181 |
| B | HOH2106 |
| B | HOH2199 |
| site_id | BC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE GOL B 1600 |
| Chain | Residue |
| A | TRP65 |
| A | THR66 |
| A | ASP67 |
| A | PRO68 |
| A | ARG175 |
| A | HOH2061 |
| B | GLN92 |
| B | ASP93 |
| B | HOH2102 |
| B | HOH2214 |
| B | HOH2227 |
| B | HOH2333 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2AHJ","evidenceCode":"ECO:0007744"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Cysteine sulfinic acid (-SO2H)","evidences":[{"source":"PubMed","id":"9368004","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Cysteine sulfenic acid (-SOH)","evidences":[{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"}]} |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| B | ARG56 | |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 57 |
| Chain | Residue | Details |
| B | ARG56 | electrostatic stabiliser, proton acceptor, proton donor |
| B | TYR72 | proton acceptor, proton donor |
| B | TYR76 | increase acidity, increase basicity |
| A | GLY122 | electrofuge, metal ligand, nucleophile, proton acceptor, proton donor |
