5WI5
2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| A | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| A | 0051301 | biological_process | cell division |
| A | 0071555 | biological_process | cell wall organization |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008360 | biological_process | regulation of cell shape |
| B | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| B | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| B | 0051301 | biological_process | cell division |
| B | 0071555 | biological_process | cell wall organization |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008360 | biological_process | regulation of cell shape |
| C | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| C | 0009252 | biological_process | peptidoglycan biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| C | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| C | 0051301 | biological_process | cell division |
| C | 0071555 | biological_process | cell wall organization |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008360 | biological_process | regulation of cell shape |
| D | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| D | 0009252 | biological_process | peptidoglycan biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| D | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| D | 0051301 | biological_process | cell division |
| D | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue 0V5 A 501 |
| Chain | Residue |
| A | MET95 |
| A | HOH746 |
| A | HOH780 |
| A | HOH827 |
| A | HOH881 |
| A | ARG96 |
| A | CYS120 |
| A | THR121 |
| A | ARG401 |
| A | MG502 |
| A | HOH673 |
| A | HOH690 |
| A | HOH691 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 502 |
| Chain | Residue |
| A | 0V5501 |
| A | HOH736 |
| A | HOH780 |
| A | HOH827 |
| A | HOH881 |
| site_id | AC3 |
| Number of Residues | 32 |
| Details | binding site for residue EPU A 503 |
| Chain | Residue |
| A | LYS23 |
| A | ASN24 |
| A | ALA97 |
| A | ARG125 |
| A | PRO126 |
| A | ILE127 |
| A | ASP128 |
| A | LEU129 |
| A | PHE164 |
| A | SER166 |
| A | VAL167 |
| A | GLY168 |
| A | ASP309 |
| A | VAL331 |
| A | PHE332 |
| A | ARG335 |
| A | HOH623 |
| A | HOH627 |
| A | HOH637 |
| A | HOH651 |
| A | HOH652 |
| A | HOH663 |
| A | HOH664 |
| A | HOH680 |
| A | HOH697 |
| A | HOH739 |
| A | HOH746 |
| A | HOH752 |
| A | HOH769 |
| A | HOH851 |
| A | HOH866 |
| A | HOH883 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 502 |
| Chain | Residue |
| B | 0V5501 |
| B | HOH642 |
| B | HOH645 |
| B | HOH739 |
| B | HOH750 |
| site_id | AC5 |
| Number of Residues | 29 |
| Details | binding site for residue EPU B 503 |
| Chain | Residue |
| B | LYS23 |
| B | ASN24 |
| B | ALA97 |
| B | SER124 |
| B | ARG125 |
| B | PRO126 |
| B | ILE127 |
| B | ASP128 |
| B | LEU129 |
| B | HIS130 |
| B | PHE164 |
| B | SER166 |
| B | VAL167 |
| B | GLY168 |
| B | ASP309 |
| B | VAL331 |
| B | PHE332 |
| B | ARG335 |
| B | HOH609 |
| B | HOH616 |
| B | HOH619 |
| B | HOH664 |
| B | HOH672 |
| B | HOH676 |
| B | HOH681 |
| B | HOH685 |
| B | HOH696 |
| B | HOH725 |
| B | HOH729 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 502 |
| Chain | Residue |
| C | LYS94 |
| C | ARG401 |
| C | 0V5501 |
| C | HOH606 |
| C | HOH625 |
| site_id | AC7 |
| Number of Residues | 22 |
| Details | binding site for residue EPU C 503 |
| Chain | Residue |
| C | PHE164 |
| C | SER166 |
| C | VAL167 |
| C | GLY168 |
| C | THR308 |
| C | ASP309 |
| C | VAL331 |
| C | PHE332 |
| C | HOH604 |
| C | HOH609 |
| C | HOH618 |
| C | HOH619 |
| C | LYS23 |
| C | ASN24 |
| C | ALA97 |
| C | SER124 |
| C | ARG125 |
| C | PRO126 |
| C | ILE127 |
| C | ASP128 |
| C | LEU129 |
| C | HIS130 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 502 |
| Chain | Residue |
| D | ARG401 |
| D | 0V5501 |
| D | HOH618 |
| D | HOH624 |
| D | HOH667 |
| site_id | AC9 |
| Number of Residues | 28 |
| Details | binding site for residue EPU D 503 |
| Chain | Residue |
| D | LYS23 |
| D | ASN24 |
| D | ALA97 |
| D | SER124 |
| D | ARG125 |
| D | PRO126 |
| D | ILE127 |
| D | ASP128 |
| D | LEU129 |
| D | PHE164 |
| D | SER166 |
| D | VAL167 |
| D | GLY168 |
| D | THR308 |
| D | ASP309 |
| D | VAL331 |
| D | PHE332 |
| D | ARG335 |
| D | HOH602 |
| D | HOH612 |
| D | HOH613 |
| D | HOH623 |
| D | HOH639 |
| D | HOH646 |
| D | HOH648 |
| D | HOH653 |
| D | HOH659 |
| D | HOH663 |
| site_id | AD1 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide 0V5 B 501 and CYS B 120 |
| Chain | Residue |
| B | MET95 |
| B | ARG96 |
| B | GLY119 |
| B | THR121 |
| B | ILE122 |
| B | GLY123 |
| B | ARG125 |
| B | ARG401 |
| B | MG502 |
| B | HOH615 |
| B | HOH616 |
| B | HOH642 |
| B | HOH645 |
| B | HOH647 |
| B | HOH658 |
| B | HOH728 |
| site_id | AD2 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide 0V5 C 501 and CYS C 120 |
| Chain | Residue |
| C | MET95 |
| C | ARG96 |
| C | GLY119 |
| C | THR121 |
| C | ILE122 |
| C | GLY123 |
| C | ARG125 |
| C | ARG401 |
| C | MG502 |
| C | HOH605 |
| C | HOH606 |
| C | HOH609 |
| C | HOH610 |
| site_id | AD3 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide 0V5 D 501 and CYS D 120 |
| Chain | Residue |
| C | GLN337 |
| C | GLU340 |
| D | ARG96 |
| D | GLY119 |
| D | THR121 |
| D | ILE122 |
| D | GLY123 |
| D | ARG125 |
| D | ARG401 |
| D | MG502 |
| D | HOH603 |
| D | HOH607 |
| D | HOH618 |
| D | HOH624 |
| D | HOH667 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00111","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 32 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00111","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"2-(S-cysteinyl)pyruvic acid O-phosphothioketal","evidences":[{"source":"HAMAP-Rule","id":"MF_00111","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
