1GU1
Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0009423 | biological_process | chorismate biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0019631 | biological_process | quinate catabolic process |
| B | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0009423 | biological_process | chorismate biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0019631 | biological_process | quinate catabolic process |
| C | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0009423 | biological_process | chorismate biosynthetic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0019631 | biological_process | quinate catabolic process |
| D | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0009423 | biological_process | chorismate biosynthetic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0019631 | biological_process | quinate catabolic process |
| E | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| E | 0008652 | biological_process | amino acid biosynthetic process |
| E | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| E | 0009423 | biological_process | chorismate biosynthetic process |
| E | 0016829 | molecular_function | lyase activity |
| E | 0019631 | biological_process | quinate catabolic process |
| F | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| F | 0008652 | biological_process | amino acid biosynthetic process |
| F | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| F | 0009423 | biological_process | chorismate biosynthetic process |
| F | 0016829 | molecular_function | lyase activity |
| F | 0019631 | biological_process | quinate catabolic process |
| G | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| G | 0008652 | biological_process | amino acid biosynthetic process |
| G | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| G | 0009423 | biological_process | chorismate biosynthetic process |
| G | 0016829 | molecular_function | lyase activity |
| G | 0019631 | biological_process | quinate catabolic process |
| H | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| H | 0008652 | biological_process | amino acid biosynthetic process |
| H | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| H | 0009423 | biological_process | chorismate biosynthetic process |
| H | 0016829 | molecular_function | lyase activity |
| H | 0019631 | biological_process | quinate catabolic process |
| I | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| I | 0008652 | biological_process | amino acid biosynthetic process |
| I | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| I | 0009423 | biological_process | chorismate biosynthetic process |
| I | 0016829 | molecular_function | lyase activity |
| I | 0019631 | biological_process | quinate catabolic process |
| J | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| J | 0008652 | biological_process | amino acid biosynthetic process |
| J | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| J | 0009423 | biological_process | chorismate biosynthetic process |
| J | 0016829 | molecular_function | lyase activity |
| J | 0019631 | biological_process | quinate catabolic process |
| K | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| K | 0008652 | biological_process | amino acid biosynthetic process |
| K | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| K | 0009423 | biological_process | chorismate biosynthetic process |
| K | 0016829 | molecular_function | lyase activity |
| K | 0019631 | biological_process | quinate catabolic process |
| L | 0003855 | molecular_function | 3-dehydroquinate dehydratase activity |
| L | 0008652 | biological_process | amino acid biosynthetic process |
| L | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| L | 0009423 | biological_process | chorismate biosynthetic process |
| L | 0016829 | molecular_function | lyase activity |
| L | 0019631 | biological_process | quinate catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 A 201 |
| Chain | Residue |
| A | TYR28 |
| A | GOL202 |
| B | ASP92 |
| A | ASN79 |
| A | ALA81 |
| A | ALA82 |
| A | HIS85 |
| A | HIS106 |
| A | ILE107 |
| A | SER108 |
| A | ARG117 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE TLA A 203 |
| Chain | Residue |
| A | ARG23 |
| A | GLN24 |
| A | TYR28 |
| A | ARG113 |
| A | GOL202 |
| A | HOH2231 |
| A | HOH2232 |
| A | HOH2233 |
| B | ASP92 |
| B | ASN95 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 B 201 |
| Chain | Residue |
| B | TYR28 |
| B | ASN79 |
| B | ALA81 |
| B | ALA82 |
| B | HIS85 |
| B | HIS106 |
| B | ILE107 |
| B | SER108 |
| B | ARG117 |
| B | GOL202 |
| C | ASP92 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE TLA B 203 |
| Chain | Residue |
| B | ARG23 |
| B | GLN24 |
| B | TYR28 |
| B | ARG113 |
| B | ARG117 |
| B | GOL202 |
| B | HOH2225 |
| B | HOH2226 |
| C | ASP92 |
| C | ASN95 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 C 201 |
| Chain | Residue |
| A | ASP92 |
| C | TYR28 |
| C | ASN79 |
| C | ALA81 |
| C | ALA82 |
| C | HIS85 |
| C | HIS106 |
| C | ILE107 |
| C | SER108 |
| C | ARG117 |
| C | GOL202 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA C 203 |
| Chain | Residue |
| A | ASP92 |
| A | ASN95 |
| C | ARG23 |
| C | GLN24 |
| C | TYR28 |
| C | ARG113 |
| C | ARG117 |
| C | GOL202 |
| C | HOH2189 |
| C | HOH2190 |
| C | HOH2191 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 D 201 |
| Chain | Residue |
| D | TYR28 |
| D | ASN79 |
| D | ALA81 |
| D | ALA82 |
| D | HIS85 |
| D | HIS106 |
| D | ILE107 |
| D | SER108 |
| D | ARG117 |
| D | GOL202 |
| E | ASP92 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA D 203 |
| Chain | Residue |
| D | ARG23 |
| D | GLN24 |
| D | TYR28 |
| D | ARG113 |
| D | ARG117 |
| D | GOL202 |
| D | HOH2213 |
| D | HOH2214 |
| D | HOH2215 |
| E | ASP92 |
| E | ASN95 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 E 201 |
| Chain | Residue |
| E | TYR28 |
| E | ASN79 |
| E | ALA81 |
| E | ALA82 |
| E | HIS85 |
| E | HIS106 |
| E | ILE107 |
| E | SER108 |
| E | ARG117 |
| E | GOL202 |
| F | ASP92 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA E 203 |
| Chain | Residue |
| E | TYR28 |
| E | ARG113 |
| E | ARG117 |
| E | GOL202 |
| E | HOH2065 |
| E | HOH2201 |
| E | HOH2238 |
| F | ASP92 |
| F | ASN95 |
| E | ARG23 |
| E | GLN24 |
| site_id | BC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 F 201 |
| Chain | Residue |
| D | ASP92 |
| F | TYR28 |
| F | ASN79 |
| F | ALA81 |
| F | ALA82 |
| F | HIS85 |
| F | HIS106 |
| F | ILE107 |
| F | SER108 |
| F | ARG117 |
| F | GOL202 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE TLA F 203 |
| Chain | Residue |
| D | ASP92 |
| D | ASN95 |
| F | ARG23 |
| F | GLN24 |
| F | TYR28 |
| F | ARG113 |
| F | ARG117 |
| F | GOL202 |
| F | HOH2234 |
| F | HOH2235 |
| site_id | BC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 G 201 |
| Chain | Residue |
| G | TYR28 |
| G | ASN79 |
| G | ALA81 |
| G | ALA82 |
| G | HIS85 |
| G | HIS106 |
| G | ILE107 |
| G | SER108 |
| G | ARG117 |
| G | GOL202 |
| H | ASP92 |
| site_id | BC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA G 203 |
| Chain | Residue |
| G | ARG23 |
| G | GLN24 |
| G | TYR28 |
| G | ARG113 |
| G | ARG117 |
| G | GOL202 |
| G | HOH2203 |
| G | HOH2244 |
| G | HOH2245 |
| H | ASP92 |
| H | ASN95 |
| site_id | BC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 H 201 |
| Chain | Residue |
| H | TYR28 |
| H | ASN79 |
| H | ALA81 |
| H | ALA82 |
| H | HIS85 |
| H | HIS106 |
| H | ILE107 |
| H | SER108 |
| H | ARG117 |
| H | GOL202 |
| I | ASP92 |
| site_id | BC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA H 203 |
| Chain | Residue |
| H | ARG23 |
| H | GLN24 |
| H | TYR28 |
| H | ARG113 |
| H | ARG117 |
| H | GOL202 |
| H | HOH2187 |
| H | HOH2230 |
| H | HOH2231 |
| I | ASP92 |
| I | ASN95 |
| site_id | BC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 I 201 |
| Chain | Residue |
| G | ASP92 |
| I | TYR28 |
| I | ASN79 |
| I | ALA81 |
| I | ALA82 |
| I | HIS85 |
| I | HIS106 |
| I | ILE107 |
| I | SER108 |
| I | ARG117 |
| I | GOL202 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TLA I 203 |
| Chain | Residue |
| G | ASP92 |
| G | ASN95 |
| I | ARG23 |
| I | GLN24 |
| I | TYR28 |
| I | ARG113 |
| I | ARG117 |
| I | GOL202 |
| I | HOH2214 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 J 201 |
| Chain | Residue |
| J | TYR28 |
| J | ASN79 |
| J | ALA81 |
| J | ALA82 |
| J | HIS85 |
| J | HIS106 |
| J | ILE107 |
| J | SER108 |
| J | ARG117 |
| J | GOL202 |
| K | ASP92 |
| site_id | CC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA J 203 |
| Chain | Residue |
| J | ARG23 |
| J | GLN24 |
| J | TYR28 |
| J | ARG113 |
| J | ARG117 |
| J | GOL202 |
| J | HOH2158 |
| J | HOH2197 |
| J | HOH2199 |
| K | ASP92 |
| K | ASN95 |
| site_id | CC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 K 201 |
| Chain | Residue |
| K | TYR28 |
| K | ASN79 |
| K | ALA81 |
| K | ALA82 |
| K | HIS85 |
| K | HIS106 |
| K | ILE107 |
| K | SER108 |
| K | ARG117 |
| K | GOL202 |
| L | ASP92 |
| site_id | CC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TLA K 203 |
| Chain | Residue |
| K | ARG23 |
| K | GLN24 |
| K | TYR28 |
| K | ARG113 |
| K | ARG117 |
| K | GOL202 |
| K | HOH2219 |
| K | HOH2220 |
| K | HOH2221 |
| L | ASP92 |
| L | ASN95 |
| site_id | CC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FA1 L 201 |
| Chain | Residue |
| J | ASP92 |
| L | TYR28 |
| L | ASN79 |
| L | ALA81 |
| L | ALA82 |
| L | HIS85 |
| L | HIS106 |
| L | ILE107 |
| L | SER108 |
| L | ARG117 |
| L | GOL202 |
| site_id | CC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE TLA L 203 |
| Chain | Residue |
| J | ASP92 |
| J | ASN95 |
| L | ARG23 |
| L | GLN24 |
| L | TYR28 |
| L | ARG113 |
| L | ARG117 |
| L | GOL202 |
| L | HOH2184 |
| L | HOH2185 |
| site_id | CC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS A 204 |
| Chain | Residue |
| A | GLU59 |
| A | THR86 |
| A | SER87 |
| B | GLU59 |
| B | THR86 |
| B | SER87 |
| C | GLU59 |
| C | THR86 |
| C | SER87 |
| site_id | CC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS B 204 |
| Chain | Residue |
| D | GLU59 |
| D | THR86 |
| D | SER87 |
| E | GLU59 |
| E | THR86 |
| E | SER87 |
| F | GLU59 |
| F | THR86 |
| F | SER87 |
| site_id | CC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS H 204 |
| Chain | Residue |
| G | GLU59 |
| G | THR86 |
| G | SER87 |
| H | GLU59 |
| H | THR86 |
| H | SER87 |
| I | GLU59 |
| I | THR86 |
| I | SER87 |
| site_id | DC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS L 204 |
| Chain | Residue |
| J | GLU59 |
| J | THR86 |
| J | SER87 |
| K | GLU59 |
| K | THR86 |
| K | SER87 |
| L | GLU59 |
| L | THR86 |
| L | SER87 |
| site_id | DC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 202 |
| Chain | Residue |
| A | ASN16 |
| A | LEU17 |
| A | LEU20 |
| A | TYR28 |
| A | FA1201 |
| A | TLA203 |
| A | HOH2227 |
| A | HOH2228 |
| A | HOH2233 |
| site_id | DC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 202 |
| Chain | Residue |
| B | ASN16 |
| B | LEU17 |
| B | LEU20 |
| B | TYR28 |
| B | FA1201 |
| B | TLA203 |
| B | HOH2032 |
| B | HOH2224 |
| B | HOH2225 |
| site_id | DC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 202 |
| Chain | Residue |
| C | ASN16 |
| C | LEU17 |
| C | LEU20 |
| C | TYR28 |
| C | FA1201 |
| C | TLA203 |
| C | HOH2025 |
| C | HOH2188 |
| C | HOH2189 |
| site_id | DC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 202 |
| Chain | Residue |
| D | ASN16 |
| D | LEU17 |
| D | LEU20 |
| D | TYR28 |
| D | FA1201 |
| D | TLA203 |
| D | HOH2025 |
| D | HOH2212 |
| D | HOH2213 |
| site_id | DC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL E 202 |
| Chain | Residue |
| E | ASN16 |
| E | LEU17 |
| E | LEU20 |
| E | TYR28 |
| E | FA1201 |
| E | TLA203 |
| E | HOH2235 |
| E | HOH2236 |
| E | HOH2238 |
| site_id | DC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL F 202 |
| Chain | Residue |
| D | HOH2153 |
| F | ASN16 |
| F | LEU17 |
| F | LEU20 |
| F | TYR28 |
| F | FA1201 |
| F | TLA203 |
| F | HOH2062 |
| F | HOH2235 |
| site_id | DC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL G 202 |
| Chain | Residue |
| G | ASN16 |
| G | LEU17 |
| G | LEU20 |
| G | TYR28 |
| G | FA1201 |
| G | TLA203 |
| G | HOH2242 |
| G | HOH2244 |
| H | HOH2169 |
| site_id | DC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL H 202 |
| Chain | Residue |
| H | ASN16 |
| H | LEU17 |
| H | LEU20 |
| H | TYR28 |
| H | FA1201 |
| H | TLA203 |
| H | HOH2228 |
| H | HOH2229 |
| H | HOH2230 |
| site_id | EC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL I 202 |
| Chain | Residue |
| I | ASN16 |
| I | LEU17 |
| I | LEU20 |
| I | TYR28 |
| I | FA1201 |
| I | TLA203 |
| I | HOH2212 |
| I | HOH2213 |
| I | HOH2214 |
| site_id | EC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL J 202 |
| Chain | Residue |
| J | ASN16 |
| J | LEU17 |
| J | LEU20 |
| J | TYR28 |
| J | FA1201 |
| J | TLA203 |
| J | HOH2196 |
| J | HOH2197 |
| K | HOH2150 |
| site_id | EC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL K 202 |
| Chain | Residue |
| K | ASN16 |
| K | LEU17 |
| K | LEU20 |
| K | TYR28 |
| K | FA1201 |
| K | TLA203 |
| K | HOH2217 |
| K | HOH2218 |
| K | HOH2219 |
| K | HOH2220 |
| site_id | EC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL L 202 |
| Chain | Residue |
| J | HOH2138 |
| L | ASN16 |
| L | LEU17 |
| L | LEU20 |
| L | TYR28 |
| L | FA1201 |
| L | TLA203 |
| L | HOH2183 |
| L | HOH2184 |
Functional Information from PROSITE/UniProt
| site_id | PS01029 |
| Number of Residues | 18 |
| Details | DEHYDROQUINASE_II Dehydroquinase class II signature. LNGPNLnlLGqRQpeiYG |
| Chain | Residue | Details |
| A | LEU12-GLY29 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | GLY29 | |
| J | GLY29 | |
| K | GLY29 | |
| L | GLY29 | |
| B | GLY29 | |
| C | GLY29 | |
| D | GLY29 | |
| E | GLY29 | |
| F | GLY29 | |
| G | GLY29 | |
| H | GLY29 | |
| I | GLY29 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | ACT_SITE: Proton donor |
| Chain | Residue | Details |
| A | ILE107 | |
| J | ILE107 | |
| K | ILE107 | |
| L | ILE107 | |
| B | ILE107 | |
| C | ILE107 | |
| D | ILE107 | |
| E | ILE107 | |
| F | ILE107 | |
| G | ILE107 | |
| H | ILE107 | |
| I | ILE107 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 60 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | PRO80 | |
| B | HIS118 | |
| C | PRO80 | |
| C | THR86 | |
| C | ALA93 | |
| C | SER108 | |
| C | HIS118 | |
| D | PRO80 | |
| D | THR86 | |
| D | ALA93 | |
| D | SER108 | |
| A | THR86 | |
| D | HIS118 | |
| E | PRO80 | |
| E | THR86 | |
| E | ALA93 | |
| E | SER108 | |
| E | HIS118 | |
| F | PRO80 | |
| F | THR86 | |
| F | ALA93 | |
| F | SER108 | |
| A | ALA93 | |
| F | HIS118 | |
| G | PRO80 | |
| G | THR86 | |
| G | ALA93 | |
| G | SER108 | |
| G | HIS118 | |
| H | PRO80 | |
| H | THR86 | |
| H | ALA93 | |
| H | SER108 | |
| A | SER108 | |
| H | HIS118 | |
| I | PRO80 | |
| I | THR86 | |
| I | ALA93 | |
| I | SER108 | |
| I | HIS118 | |
| J | PRO80 | |
| J | THR86 | |
| J | ALA93 | |
| J | SER108 | |
| A | HIS118 | |
| J | HIS118 | |
| K | PRO80 | |
| K | THR86 | |
| K | ALA93 | |
| K | SER108 | |
| K | HIS118 | |
| L | PRO80 | |
| L | THR86 | |
| L | ALA93 | |
| L | SER108 | |
| B | PRO80 | |
| L | HIS118 | |
| B | THR86 | |
| B | ALA93 | |
| B | SER108 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | SITE: Transition state stabilizer |
| Chain | Residue | Details |
| A | GLN24 | |
| J | GLN24 | |
| K | GLN24 | |
| L | GLN24 | |
| B | GLN24 | |
| C | GLN24 | |
| D | GLN24 | |
| E | GLN24 | |
| F | GLN24 | |
| G | GLN24 | |
| H | GLN24 | |
| I | GLN24 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| A | ASN16 | activator, hydrogen bond acceptor, steric role |
| A | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| A | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | PRO80 | hydrogen bond acceptor, steric role |
| A | TYR83 | activator, hydrogen bond donor, steric role |
| A | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA2 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| B | ASN16 | activator, hydrogen bond acceptor, steric role |
| B | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| B | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | PRO80 | hydrogen bond acceptor, steric role |
| B | TYR83 | activator, hydrogen bond donor, steric role |
| B | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA3 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| C | ASN16 | activator, hydrogen bond acceptor, steric role |
| C | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| C | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | PRO80 | hydrogen bond acceptor, steric role |
| C | TYR83 | activator, hydrogen bond donor, steric role |
| C | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| C | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA4 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| D | ASN16 | activator, hydrogen bond acceptor, steric role |
| D | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| D | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | PRO80 | hydrogen bond acceptor, steric role |
| D | TYR83 | activator, hydrogen bond donor, steric role |
| D | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| D | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA5 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| E | ASN16 | activator, hydrogen bond acceptor, steric role |
| E | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| E | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | PRO80 | hydrogen bond acceptor, steric role |
| E | TYR83 | activator, hydrogen bond donor, steric role |
| E | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| E | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA6 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| F | ASN16 | activator, hydrogen bond acceptor, steric role |
| F | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| F | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| F | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| F | PRO80 | hydrogen bond acceptor, steric role |
| F | TYR83 | activator, hydrogen bond donor, steric role |
| F | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| F | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| F | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA7 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| G | ASN16 | activator, hydrogen bond acceptor, steric role |
| G | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| G | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| G | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| G | PRO80 | hydrogen bond acceptor, steric role |
| G | TYR83 | activator, hydrogen bond donor, steric role |
| G | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| G | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| G | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA8 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| H | ASN16 | activator, hydrogen bond acceptor, steric role |
| H | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| H | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| H | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| H | PRO80 | hydrogen bond acceptor, steric role |
| H | TYR83 | activator, hydrogen bond donor, steric role |
| H | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| H | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| H | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA9 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| I | ASN16 | activator, hydrogen bond acceptor, steric role |
| I | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| I | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| I | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| I | PRO80 | hydrogen bond acceptor, steric role |
| I | TYR83 | activator, hydrogen bond donor, steric role |
| I | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| I | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| I | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA10 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| J | ASN16 | activator, hydrogen bond acceptor, steric role |
| J | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| J | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| J | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| J | PRO80 | hydrogen bond acceptor, steric role |
| J | TYR83 | activator, hydrogen bond donor, steric role |
| J | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| J | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| J | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA11 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| K | ASN16 | activator, hydrogen bond acceptor, steric role |
| K | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| K | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| K | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| K | PRO80 | hydrogen bond acceptor, steric role |
| K | TYR83 | activator, hydrogen bond donor, steric role |
| K | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| K | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| K | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| site_id | MCSA12 |
| Number of Residues | 9 |
| Details | M-CSA 55 |
| Chain | Residue | Details |
| L | ASN16 | activator, hydrogen bond acceptor, steric role |
| L | LEU17 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| L | GLN24 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
| L | GLY29 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| L | PRO80 | hydrogen bond acceptor, steric role |
| L | TYR83 | activator, hydrogen bond donor, steric role |
| L | VAL105 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| L | ILE107 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| L | GLU114 | activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction |
