3S3S
Transglutaminase 2 in complex with a novel inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000785 | cellular_component | chromatin |
| A | 0000786 | cellular_component | nucleosome |
| A | 0003810 | molecular_function | protein-glutamine gamma-glutamyltransferase activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005525 | molecular_function | GTP binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005694 | cellular_component | chromosome |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0005925 | cellular_component | focal adhesion |
| A | 0006338 | biological_process | chromatin remodeling |
| A | 0006508 | biological_process | proteolysis |
| A | 0007200 | biological_process | phospholipase C-activating G protein-coupled receptor signaling pathway |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0018149 | biological_process | peptide cross-linking |
| A | 0018277 | biological_process | protein deamination |
| A | 0031012 | cellular_component | extracellular matrix |
| A | 0032471 | biological_process | negative regulation of endoplasmic reticulum calcium ion concentration |
| A | 0042981 | biological_process | regulation of apoptotic process |
| A | 0043065 | biological_process | positive regulation of apoptotic process |
| A | 0043277 | biological_process | apoptotic cell clearance |
| A | 0043547 | biological_process | positive regulation of GTPase activity |
| A | 0045785 | biological_process | positive regulation of cell adhesion |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0048471 | cellular_component | perinuclear region of cytoplasm |
| A | 0050568 | molecular_function | protein-glutamine glutaminase activity |
| A | 0050769 | biological_process | positive regulation of neurogenesis |
| A | 0051057 | biological_process | positive regulation of small GTPase mediated signal transduction |
| A | 0051561 | biological_process | positive regulation of mitochondrial calcium ion concentration |
| A | 0060348 | biological_process | bone development |
| A | 0060445 | biological_process | branching involved in salivary gland morphogenesis |
| A | 0060662 | biological_process | salivary gland cavitation |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0071314 | biological_process | cellular response to cocaine |
| A | 0120294 | molecular_function | peptide serotonyltransferase activity |
| A | 0120295 | molecular_function | histone serotonyltransferase activity |
| A | 0120296 | molecular_function | peptide dopaminyltransferase activity |
| A | 0120297 | molecular_function | histone dopaminyltransferase activity |
| A | 0120298 | molecular_function | peptide noradrenalinyltransferase activity |
| A | 0120299 | molecular_function | peptide histaminyltransferase activity |
| A | 1903351 | biological_process | cellular response to dopamine |
| A | 1903672 | biological_process | positive regulation of sprouting angiogenesis |
| A | 1904015 | biological_process | cellular response to serotonin |
| A | 2000425 | biological_process | regulation of apoptotic cell clearance |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 688 |
| Chain | Residue |
| A | LYS202 |
| A | ARG222 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 689 |
| Chain | Residue |
| A | LYS202 |
| A | ARG209 |
| A | TYR219 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 A 690 |
| Chain | Residue |
| A | ARG80 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 691 |
| Chain | Residue |
| A | HOH764 |
| A | HOH815 |
| A | ARG80 |
| A | ASP81 |
| A | ALA82 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 692 |
| Chain | Residue |
| A | ARG478 |
| A | VAL479 |
| A | ARG580 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 693 |
| Chain | Residue |
| A | SER68 |
| A | GLN69 |
| A | LYS74 |
| A | HOH838 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR CHAIN B OF PEPTIDE INHIBITOR |
| Chain | Residue |
| A | GLN169 |
| A | GLY170 |
| A | CYS277 |
| A | SER303 |
| A | MET330 |
| A | ILE331 |
| A | TRP332 |
| A | ASN333 |
| A | PHE334 |
| A | HIS335 |
| A | THR360 |
| A | ASN517 |
Functional Information from PROSITE/UniProt
| site_id | PS00547 |
| Number of Residues | 18 |
| Details | TRANSGLUTAMINASES Transglutaminases active site. GQCWVfAAVacTvLRCLG |
| Chain | Residue | Details |
| A | GLY275-GLY292 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10024","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7649299","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"8943303","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10024","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P00488","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"31991788","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25192068","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30321187","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31991788","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11867708","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"20450932","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1KV3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LY6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PYG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6A8P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6KZB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Site: {"description":"Important for catalytic activity","evidences":[{"source":"UniProtKB","id":"P52181","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"DEC-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Lilla S.","von Kriegsheim A.","Lempens A.","Kolch W."]}},{"source":"PubMed","id":"22814378","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Cross-link: {"description":"Isoglutamyl lysine isopeptide (Gln-Lys) (interchain with K-?)","evidences":[{"source":"UniProtKB","id":"P08587","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
