6P02
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| A | 0006523 | biological_process | alanine biosynthetic process |
| B | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| B | 0006523 | biological_process | alanine biosynthetic process |
| C | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| C | 0006523 | biological_process | alanine biosynthetic process |
| D | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| D | 0006523 | biological_process | alanine biosynthetic process |
| E | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| E | 0006523 | biological_process | alanine biosynthetic process |
| F | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| F | 0006523 | biological_process | alanine biosynthetic process |
| G | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| G | 0006523 | biological_process | alanine biosynthetic process |
| H | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| H | 0006523 | biological_process | alanine biosynthetic process |
| I | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| I | 0006523 | biological_process | alanine biosynthetic process |
| J | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| J | 0006523 | biological_process | alanine biosynthetic process |
| K | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| K | 0006523 | biological_process | alanine biosynthetic process |
| L | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| L | 0006523 | biological_process | alanine biosynthetic process |
| M | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| M | 0006523 | biological_process | alanine biosynthetic process |
| N | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| N | 0006523 | biological_process | alanine biosynthetic process |
| O | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| O | 0006523 | biological_process | alanine biosynthetic process |
| P | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| P | 0006523 | biological_process | alanine biosynthetic process |
| Q | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| Q | 0006523 | biological_process | alanine biosynthetic process |
| R | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| R | 0006523 | biological_process | alanine biosynthetic process |
| S | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| S | 0006523 | biological_process | alanine biosynthetic process |
| T | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| T | 0006523 | biological_process | alanine biosynthetic process |
| U | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| U | 0006523 | biological_process | alanine biosynthetic process |
| V | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| V | 0006523 | biological_process | alanine biosynthetic process |
| W | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| W | 0006523 | biological_process | alanine biosynthetic process |
| X | 0004068 | molecular_function | aspartate 1-decarboxylase activity |
| X | 0006523 | biological_process | alanine biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue NMJ B 201 |
| Chain | Residue |
| B | PYR25 |
| H | TYR90 |
| B | THR57 |
| B | TYR58 |
| B | ASN72 |
| B | GLY73 |
| B | ALA74 |
| B | ALA75 |
| H | ARG54 |
| H | ILE88 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | binding site for residue NMJ D 201 |
| Chain | Residue |
| A | LYS9 |
| B | VAL47 |
| B | ARG54 |
| B | ILE86 |
| B | ILE88 |
| B | TYR90 |
| D | PYR25 |
| D | TYR58 |
| D | ASN72 |
| D | GLY73 |
| D | ALA74 |
| D | ALA75 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue NMJ F 201 |
| Chain | Residue |
| D | VAL47 |
| D | ARG54 |
| D | ILE86 |
| D | ILE88 |
| D | TYR90 |
| F | VAL56 |
| F | TYR58 |
| F | ASN72 |
| F | GLY73 |
| F | ALA74 |
| F | ALA75 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue NMJ H 201 |
| Chain | Residue |
| F | ARG54 |
| F | ILE86 |
| F | ILE88 |
| F | TYR90 |
| H | PYR25 |
| H | TYR58 |
| H | ASN72 |
| H | GLY73 |
| H | ALA74 |
| H | ALA75 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | binding site for residue NMJ J 201 |
| Chain | Residue |
| J | PYR25 |
| J | THR57 |
| J | TYR58 |
| J | ASN72 |
| J | GLY73 |
| J | ALA74 |
| J | ALA75 |
| P | ARG54 |
| P | ILE86 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue NMJ L 201 |
| Chain | Residue |
| J | VAL47 |
| J | ARG54 |
| J | ILE88 |
| J | TYR90 |
| L | PYR25 |
| L | THR57 |
| L | TYR58 |
| L | ASN72 |
| L | GLY73 |
| L | ALA74 |
| L | ALA75 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | binding site for residue NMJ N 201 |
| Chain | Residue |
| K | LYS9 |
| L | ARG54 |
| L | ILE88 |
| L | TYR90 |
| N | PYR25 |
| N | VAL56 |
| N | THR57 |
| N | TYR58 |
| N | ASN72 |
| N | GLY73 |
| N | ALA74 |
| N | ALA75 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue NMJ P 201 |
| Chain | Residue |
| N | ARG54 |
| N | ILE86 |
| N | ILE88 |
| N | TYR90 |
| P | PYR25 |
| P | VAL56 |
| P | THR57 |
| P | TYR58 |
| P | ASN72 |
| P | GLY73 |
| P | ALA74 |
| P | ALA75 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | binding site for residue NMJ R 201 |
| Chain | Residue |
| R | PYR25 |
| R | THR57 |
| R | TYR58 |
| R | ASN72 |
| R | GLY73 |
| R | ALA74 |
| R | ALA75 |
| X | VAL47 |
| X | ARG54 |
| X | ILE86 |
| X | TYR90 |
| site_id | AD1 |
| Number of Residues | 12 |
| Details | binding site for residue NMJ T 201 |
| Chain | Residue |
| R | ILE86 |
| R | ILE88 |
| R | TYR90 |
| T | PYR25 |
| T | VAL56 |
| T | THR57 |
| T | TYR58 |
| T | ASN72 |
| T | GLY73 |
| T | ALA74 |
| T | ALA75 |
| R | ARG54 |
| site_id | AD2 |
| Number of Residues | 11 |
| Details | binding site for residue NMJ V 201 |
| Chain | Residue |
| S | LYS9 |
| T | ARG54 |
| T | ILE88 |
| T | TYR90 |
| V | PYR25 |
| V | THR57 |
| V | TYR58 |
| V | ASN72 |
| V | GLY73 |
| V | ALA74 |
| V | ALA75 |
| site_id | AD3 |
| Number of Residues | 13 |
| Details | binding site for residue NMJ X 201 |
| Chain | Residue |
| V | VAL47 |
| V | ARG54 |
| V | ILE86 |
| V | ILE88 |
| V | TYR90 |
| X | PYR25 |
| X | VAL56 |
| X | THR57 |
| X | TYR58 |
| X | ASN72 |
| X | GLY73 |
| X | ALA74 |
| X | ALA75 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR D 25 and VAL D 26 |
| Chain | Residue |
| D | THR27 |
| D | ILE28 |
| D | THR57 |
| D | TYR58 |
| D | ALA59 |
| D | ILE60 |
| D | GLY70 |
| D | ASN72 |
| D | NMJ201 |
| site_id | AD5 |
| Number of Residues | 8 |
| Details | binding site for Di-peptide PYR F 25 and VAL F 26 |
| Chain | Residue |
| F | THR27 |
| F | ILE28 |
| F | THR57 |
| F | TYR58 |
| F | ALA59 |
| F | ILE60 |
| F | GLY70 |
| F | ASN72 |
| site_id | AD6 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR H 25 and VAL H 26 |
| Chain | Residue |
| H | THR27 |
| H | ILE28 |
| H | THR57 |
| H | TYR58 |
| H | ALA59 |
| H | ILE60 |
| H | GLY70 |
| H | ASN72 |
| H | NMJ201 |
| site_id | AD7 |
| Number of Residues | 10 |
| Details | binding site for Di-peptide PYR J 25 and VAL J 26 |
| Chain | Residue |
| J | THR27 |
| J | ILE28 |
| J | THR57 |
| J | TYR58 |
| J | ALA59 |
| J | ILE60 |
| J | GLY70 |
| J | ILE71 |
| J | ASN72 |
| J | NMJ201 |
| site_id | AD8 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR L 25 and VAL L 26 |
| Chain | Residue |
| L | THR27 |
| L | ILE28 |
| L | THR57 |
| L | TYR58 |
| L | ALA59 |
| L | ILE60 |
| L | GLY70 |
| L | ASN72 |
| L | NMJ201 |
| site_id | AD9 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR N 25 and VAL N 26 |
| Chain | Residue |
| N | THR27 |
| N | ILE28 |
| N | THR57 |
| N | TYR58 |
| N | ALA59 |
| N | ILE60 |
| N | GLY70 |
| N | ASN72 |
| N | NMJ201 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR P 25 and VAL P 26 |
| Chain | Residue |
| P | THR27 |
| P | ILE28 |
| P | THR57 |
| P | TYR58 |
| P | ALA59 |
| P | ILE60 |
| P | GLY70 |
| P | ASN72 |
| P | NMJ201 |
| site_id | AE2 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR R 25 and VAL R 26 |
| Chain | Residue |
| R | THR27 |
| R | ILE28 |
| R | THR57 |
| R | TYR58 |
| R | ALA59 |
| R | ILE60 |
| R | GLY70 |
| R | ASN72 |
| R | NMJ201 |
| site_id | AE3 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR T 25 and VAL T 26 |
| Chain | Residue |
| T | THR27 |
| T | ILE28 |
| T | THR57 |
| T | TYR58 |
| T | ALA59 |
| T | ILE60 |
| T | GLY70 |
| T | ASN72 |
| T | NMJ201 |
| site_id | AE4 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR V 25 and VAL V 26 |
| Chain | Residue |
| V | THR27 |
| V | ILE28 |
| V | THR57 |
| V | TYR58 |
| V | ALA59 |
| V | ILE60 |
| V | GLY70 |
| V | ASN72 |
| V | NMJ201 |
| site_id | AE5 |
| Number of Residues | 9 |
| Details | binding site for Di-peptide PYR X 25 and VAL X 26 |
| Chain | Residue |
| X | THR27 |
| X | ILE28 |
| X | THR57 |
| X | TYR58 |
| X | ALA59 |
| X | ILE60 |
| X | GLY70 |
| X | ASN72 |
| X | NMJ201 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: Schiff-base intermediate with substrate; via pyruvic acid => ECO:0000255|HAMAP-Rule:MF_00446 |
| Chain | Residue | Details |
| B | PYR25 | |
| T | PYR25 | |
| V | PYR25 | |
| X | PYR25 | |
| D | PYR25 | |
| F | PYR25 | |
| H | PYR25 | |
| J | PYR25 | |
| L | PYR25 | |
| N | PYR25 | |
| P | PYR25 | |
| R | PYR25 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00446 |
| Chain | Residue | Details |
| B | TYR58 | |
| T | TYR58 | |
| V | TYR58 | |
| X | TYR58 | |
| D | TYR58 | |
| F | TYR58 | |
| H | TYR58 | |
| J | TYR58 | |
| L | TYR58 | |
| N | TYR58 | |
| P | TYR58 | |
| R | TYR58 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00446 |
| Chain | Residue | Details |
| B | THR57 | |
| J | GLY73 | |
| L | THR57 | |
| L | GLY73 | |
| N | THR57 | |
| N | GLY73 | |
| P | THR57 | |
| P | GLY73 | |
| R | THR57 | |
| R | GLY73 | |
| T | THR57 | |
| B | GLY73 | |
| T | GLY73 | |
| V | THR57 | |
| V | GLY73 | |
| X | THR57 | |
| X | GLY73 | |
| D | THR57 | |
| D | GLY73 | |
| F | THR57 | |
| F | GLY73 | |
| H | THR57 | |
| H | GLY73 | |
| J | THR57 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | MOD_RES: Pyruvic acid (Ser) => ECO:0000255|HAMAP-Rule:MF_00446 |
| Chain | Residue | Details |
| B | PYR25 | |
| T | PYR25 | |
| V | PYR25 | |
| X | PYR25 | |
| D | PYR25 | |
| F | PYR25 | |
| H | PYR25 | |
| J | PYR25 | |
| L | PYR25 | |
| N | PYR25 | |
| P | PYR25 | |
| R | PYR25 |
