4KQR
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000917 | biological_process | division septum assembly |
| A | 0004180 | molecular_function | carboxypeptidase activity |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006508 | biological_process | proteolysis |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0008658 | molecular_function | penicillin binding |
| A | 0008955 | molecular_function | peptidoglycan glycosyltransferase activity |
| A | 0009002 | molecular_function | serine-type D-Ala-D-Ala carboxypeptidase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0043093 | biological_process | FtsZ-dependent cytokinesis |
| A | 0051301 | biological_process | cell division |
| A | 0071555 | biological_process | cell wall organization |
| B | 0000917 | biological_process | division septum assembly |
| B | 0004180 | molecular_function | carboxypeptidase activity |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006508 | biological_process | proteolysis |
| B | 0008233 | molecular_function | peptidase activity |
| B | 0008360 | biological_process | regulation of cell shape |
| B | 0008658 | molecular_function | penicillin binding |
| B | 0008955 | molecular_function | peptidoglycan glycosyltransferase activity |
| B | 0009002 | molecular_function | serine-type D-Ala-D-Ala carboxypeptidase activity |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0043093 | biological_process | FtsZ-dependent cytokinesis |
| B | 0051301 | biological_process | cell division |
| B | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE VPP A 601 |
| Chain | Residue |
| A | SER294 |
| A | TYR498 |
| A | TYR503 |
| A | PHE533 |
| A | GLY534 |
| A | GLY535 |
| A | IMD609 |
| A | HOH711 |
| A | HOH749 |
| A | HOH771 |
| A | HOH840 |
| A | SER349 |
| A | ASN351 |
| A | TYR407 |
| A | TYR409 |
| A | SER485 |
| A | GLY486 |
| A | THR487 |
| A | ARG489 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 602 |
| Chain | Residue |
| A | ARG499 |
| A | ASN501 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 603 |
| Chain | Residue |
| A | VAL493 |
| A | GLY494 |
| B | ARG233 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 604 |
| Chain | Residue |
| A | GLY247 |
| A | SER248 |
| A | ARG284 |
| A | PHE290 |
| A | VAL523 |
| A | ASP525 |
| A | HOH705 |
| A | HOH805 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 605 |
| Chain | Residue |
| A | TYR268 |
| A | ASN269 |
| A | ASN272 |
| A | ARG273 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 606 |
| Chain | Residue |
| A | ASP428 |
| A | SER455 |
| A | GLN458 |
| A | HOH873 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 607 |
| Chain | Residue |
| A | ASN501 |
| A | PRO527 |
| A | SER528 |
| A | GLY531 |
| A | TYR532 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 608 |
| Chain | Residue |
| A | ARG473 |
| A | ALA530 |
| A | LEU536 |
| A | HOH763 |
| A | HOH804 |
| B | GLU176 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IMD A 609 |
| Chain | Residue |
| A | THR329 |
| A | THR404 |
| A | TYR407 |
| A | VPP601 |
| site_id | BC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE VPP B 601 |
| Chain | Residue |
| B | SER294 |
| B | LYS297 |
| B | SER349 |
| B | ASN351 |
| B | THR404 |
| B | TYR407 |
| B | TYR409 |
| B | SER485 |
| B | GLY486 |
| B | THR487 |
| B | ARG489 |
| B | TYR498 |
| B | TYR503 |
| B | PHE533 |
| B | GLY534 |
| B | GLY535 |
| B | IMD609 |
| B | HOH739 |
| B | HOH819 |
| B | HOH871 |
| B | HOH951 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 602 |
| Chain | Residue |
| B | VAL491 |
| B | ARG504 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 603 |
| Chain | Residue |
| B | ARG499 |
| B | ASN501 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 604 |
| Chain | Residue |
| A | LEU230 |
| A | ARG233 |
| B | VAL493 |
| B | GLY494 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 605 |
| Chain | Residue |
| B | GLY247 |
| B | SER248 |
| B | ARG284 |
| B | VAL523 |
| B | ASP525 |
| B | HOH702 |
| B | HOH775 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 606 |
| Chain | Residue |
| B | ALA181 |
| B | LEU381 |
| B | HOH824 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 607 |
| Chain | Residue |
| B | TYR268 |
| B | ASN269 |
| B | ASN272 |
| B | ARG273 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 608 |
| Chain | Residue |
| B | LEU536 |
| B | PRO540 |
| B | HOH734 |
| B | HOH754 |
| B | HOH947 |
| B | GLU241 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IMD B 609 |
| Chain | Residue |
| B | THR329 |
| B | THR404 |
| B | TYR407 |
| B | VPP601 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | Compositional bias: {"description":"Polar residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_02080","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
