3NT1
High resolution structure of naproxen:COX-2 complex.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001516 | biological_process | prostaglandin biosynthetic process |
| A | 0001525 | biological_process | angiogenesis |
| A | 0004601 | molecular_function | peroxidase activity |
| A | 0004666 | molecular_function | prostaglandin-endoperoxide synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005637 | cellular_component | nuclear inner membrane |
| A | 0005640 | cellular_component | nuclear outer membrane |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005788 | cellular_component | endoplasmic reticulum lumen |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0005829 | cellular_component | cytosol |
| A | 0005901 | cellular_component | caveola |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0006693 | biological_process | prostaglandin metabolic process |
| A | 0006979 | biological_process | response to oxidative stress |
| A | 0007566 | biological_process | embryo implantation |
| A | 0007612 | biological_process | learning |
| A | 0007613 | biological_process | memory |
| A | 0008015 | biological_process | blood circulation |
| A | 0008217 | biological_process | regulation of blood pressure |
| A | 0008284 | biological_process | positive regulation of cell population proliferation |
| A | 0008285 | biological_process | negative regulation of cell population proliferation |
| A | 0009624 | biological_process | response to nematode |
| A | 0010269 | biological_process | response to selenium ion |
| A | 0010575 | biological_process | positive regulation of vascular endothelial growth factor production |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016701 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen |
| A | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0019371 | biological_process | cyclooxygenase pathway |
| A | 0019899 | molecular_function | enzyme binding |
| A | 0020037 | molecular_function | heme binding |
| A | 0030216 | biological_process | keratinocyte differentiation |
| A | 0030282 | biological_process | bone mineralization |
| A | 0031394 | biological_process | positive regulation of prostaglandin biosynthetic process |
| A | 0031622 | biological_process | positive regulation of fever generation |
| A | 0031915 | biological_process | positive regulation of synaptic plasticity |
| A | 0032227 | biological_process | negative regulation of synaptic transmission, dopaminergic |
| A | 0032310 | biological_process | prostaglandin secretion |
| A | 0032496 | biological_process | response to lipopolysaccharide |
| A | 0032991 | cellular_component | protein-containing complex |
| A | 0034097 | biological_process | response to cytokine |
| A | 0035633 | biological_process | maintenance of blood-brain barrier |
| A | 0042127 | biological_process | regulation of cell population proliferation |
| A | 0042307 | biological_process | positive regulation of protein import into nucleus |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0043005 | cellular_component | neuron projection |
| A | 0043065 | biological_process | positive regulation of apoptotic process |
| A | 0043066 | biological_process | negative regulation of apoptotic process |
| A | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
| A | 0045786 | biological_process | negative regulation of cell cycle |
| A | 0045907 | biological_process | positive regulation of vasoconstriction |
| A | 0045986 | biological_process | negative regulation of smooth muscle contraction |
| A | 0045987 | biological_process | positive regulation of smooth muscle contraction |
| A | 0046457 | biological_process | prostanoid biosynthetic process |
| A | 0046697 | biological_process | decidualization |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0048661 | biological_process | positive regulation of smooth muscle cell proliferation |
| A | 0050873 | biological_process | brown fat cell differentiation |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0051926 | biological_process | negative regulation of calcium ion transport |
| A | 0051968 | biological_process | positive regulation of synaptic transmission, glutamatergic |
| A | 0071456 | biological_process | cellular response to hypoxia |
| A | 0071471 | biological_process | cellular response to non-ionic osmotic stress |
| A | 0071498 | biological_process | cellular response to fluid shear stress |
| A | 0071636 | biological_process | positive regulation of transforming growth factor beta production |
| A | 0090050 | biological_process | positive regulation of cell migration involved in sprouting angiogenesis |
| A | 0090271 | biological_process | positive regulation of fibroblast growth factor production |
| A | 0090336 | biological_process | positive regulation of brown fat cell differentiation |
| A | 0090362 | biological_process | positive regulation of platelet-derived growth factor production |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| A | 0150077 | biological_process | regulation of neuroinflammatory response |
| A | 1902219 | biological_process | negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress |
| B | 0001516 | biological_process | prostaglandin biosynthetic process |
| B | 0001525 | biological_process | angiogenesis |
| B | 0004601 | molecular_function | peroxidase activity |
| B | 0004666 | molecular_function | prostaglandin-endoperoxide synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005637 | cellular_component | nuclear inner membrane |
| B | 0005640 | cellular_component | nuclear outer membrane |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0005788 | cellular_component | endoplasmic reticulum lumen |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0005829 | cellular_component | cytosol |
| B | 0005901 | cellular_component | caveola |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0006693 | biological_process | prostaglandin metabolic process |
| B | 0006979 | biological_process | response to oxidative stress |
| B | 0007566 | biological_process | embryo implantation |
| B | 0007612 | biological_process | learning |
| B | 0007613 | biological_process | memory |
| B | 0008015 | biological_process | blood circulation |
| B | 0008217 | biological_process | regulation of blood pressure |
| B | 0008284 | biological_process | positive regulation of cell population proliferation |
| B | 0008285 | biological_process | negative regulation of cell population proliferation |
| B | 0009624 | biological_process | response to nematode |
| B | 0010269 | biological_process | response to selenium ion |
| B | 0010575 | biological_process | positive regulation of vascular endothelial growth factor production |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016701 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen |
| B | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0019371 | biological_process | cyclooxygenase pathway |
| B | 0019899 | molecular_function | enzyme binding |
| B | 0020037 | molecular_function | heme binding |
| B | 0030216 | biological_process | keratinocyte differentiation |
| B | 0030282 | biological_process | bone mineralization |
| B | 0031394 | biological_process | positive regulation of prostaglandin biosynthetic process |
| B | 0031622 | biological_process | positive regulation of fever generation |
| B | 0031915 | biological_process | positive regulation of synaptic plasticity |
| B | 0032227 | biological_process | negative regulation of synaptic transmission, dopaminergic |
| B | 0032310 | biological_process | prostaglandin secretion |
| B | 0032496 | biological_process | response to lipopolysaccharide |
| B | 0032991 | cellular_component | protein-containing complex |
| B | 0034097 | biological_process | response to cytokine |
| B | 0035633 | biological_process | maintenance of blood-brain barrier |
| B | 0042127 | biological_process | regulation of cell population proliferation |
| B | 0042307 | biological_process | positive regulation of protein import into nucleus |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0043005 | cellular_component | neuron projection |
| B | 0043065 | biological_process | positive regulation of apoptotic process |
| B | 0043066 | biological_process | negative regulation of apoptotic process |
| B | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
| B | 0045786 | biological_process | negative regulation of cell cycle |
| B | 0045907 | biological_process | positive regulation of vasoconstriction |
| B | 0045986 | biological_process | negative regulation of smooth muscle contraction |
| B | 0045987 | biological_process | positive regulation of smooth muscle contraction |
| B | 0046457 | biological_process | prostanoid biosynthetic process |
| B | 0046697 | biological_process | decidualization |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0048661 | biological_process | positive regulation of smooth muscle cell proliferation |
| B | 0050873 | biological_process | brown fat cell differentiation |
| B | 0051213 | molecular_function | dioxygenase activity |
| B | 0051926 | biological_process | negative regulation of calcium ion transport |
| B | 0051968 | biological_process | positive regulation of synaptic transmission, glutamatergic |
| B | 0071456 | biological_process | cellular response to hypoxia |
| B | 0071471 | biological_process | cellular response to non-ionic osmotic stress |
| B | 0071498 | biological_process | cellular response to fluid shear stress |
| B | 0071636 | biological_process | positive regulation of transforming growth factor beta production |
| B | 0090050 | biological_process | positive regulation of cell migration involved in sprouting angiogenesis |
| B | 0090271 | biological_process | positive regulation of fibroblast growth factor production |
| B | 0090336 | biological_process | positive regulation of brown fat cell differentiation |
| B | 0090362 | biological_process | positive regulation of platelet-derived growth factor production |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0150077 | biological_process | regulation of neuroinflammatory response |
| B | 1902219 | biological_process | negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 74 |
| Details | Domain: {"description":"EGF-like","evidences":[{"source":"PROSITE-ProRule","id":"PRU00076","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00298","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For cyclooxygenase activity","evidences":[{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Site: {"description":"Aspirin-acetylated serine"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P35354","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"O-acetylserine; by SPHK1","evidences":[{"source":"PubMed","id":"29662056","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000222","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000223","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000224","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 37 |
| Chain | Residue | Details |
| A | GLN203 | electrostatic stabiliser, hydrogen bond donor |
| A | HIS207 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LEU384 | steric role |
| A | TYR385 | hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser |
| A | HIS388 | metal ligand |
| A | GLY526 | steric role |
| A | SER530 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 37 |
| Chain | Residue | Details |
| B | GLN203 | electrostatic stabiliser, hydrogen bond donor |
| B | HIS207 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | LEU384 | steric role |
| B | TYR385 | hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser |
| B | HIS388 | metal ligand |
| B | GLY526 | steric role |
| B | SER530 | electrostatic stabiliser |
