3OOB
Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000413 | biological_process | protein peptidyl-prolyl isomerization |
| A | 0001666 | biological_process | response to hypoxia |
| A | 0001934 | biological_process | positive regulation of protein phosphorylation |
| A | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
| A | 0003774 | molecular_function | cytoskeletal motor activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006626 | biological_process | protein targeting to mitochondrion |
| A | 0007088 | biological_process | regulation of mitotic nuclear division |
| A | 0007266 | biological_process | Rho protein signal transduction |
| A | 0008013 | molecular_function | beta-catenin binding |
| A | 0010468 | biological_process | regulation of gene expression |
| A | 0016607 | cellular_component | nuclear speck |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0016859 | molecular_function | cis-trans isomerase activity |
| A | 0030182 | biological_process | neuron differentiation |
| A | 0030496 | cellular_component | midbody |
| A | 0030512 | biological_process | negative regulation of transforming growth factor beta receptor signaling pathway |
| A | 0031434 | molecular_function | mitogen-activated protein kinase kinase binding |
| A | 0031647 | biological_process | regulation of protein stability |
| A | 0032465 | biological_process | regulation of cytokinesis |
| A | 0032794 | molecular_function | GTPase activating protein binding |
| A | 0036064 | cellular_component | ciliary basal body |
| A | 0042177 | biological_process | negative regulation of protein catabolic process |
| A | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| A | 0046785 | biological_process | microtubule polymerization |
| A | 0048156 | molecular_function | tau protein binding |
| A | 0050808 | biological_process | synapse organization |
| A | 0050815 | molecular_function | phosphoserine residue binding |
| A | 0050816 | molecular_function | phosphothreonine residue binding |
| A | 0050821 | biological_process | protein stabilization |
| A | 0051219 | molecular_function | phosphoprotein binding |
| A | 0060392 | biological_process | negative regulation of SMAD protein signal transduction |
| A | 0070373 | biological_process | negative regulation of ERK1 and ERK2 cascade |
| A | 0071456 | biological_process | cellular response to hypoxia |
| A | 0090263 | biological_process | positive regulation of canonical Wnt signaling pathway |
| A | 0098978 | cellular_component | glutamatergic synapse |
| A | 0099524 | cellular_component | postsynaptic cytosol |
| A | 1900180 | biological_process | regulation of protein localization to nucleus |
| A | 1902430 | biological_process | negative regulation of amyloid-beta formation |
| A | 1990757 | molecular_function | ubiquitin ligase activator activity |
| A | 2000146 | biological_process | negative regulation of cell motility |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 200 |
| Chain | Residue |
| A | LYS63 |
| A | ARG68 |
| A | ARG69 |
| A | SER154 |
| A | HOH252 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE PE4 A 300 |
| Chain | Residue |
| A | TRP34 |
| A | GLU35 |
| A | ILE93 |
| A | LYS97 |
| A | LYS97 |
| A | SER98 |
| A | MET146 |
| A | SER147 |
| A | GLY148 |
| A | HOH168 |
| A | HOH212 |
| A | HOH216 |
| A | HOH247 |
| A | KDH402 |
| A | TYR23 |
| A | ALA31 |
| A | SER32 |
| A | GLN33 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE PE4 A 301 |
| Chain | Residue |
| A | GLY128 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PE4 A 302 |
| Chain | Residue |
| A | MET130 |
| A | GLN131 |
| A | PHE134 |
| A | HOH249 |
| A | HOH273 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE KDH A 402 |
| Chain | Residue |
| A | MET15 |
| A | SER16 |
| A | ARG17 |
| A | SER18 |
| A | TYR23 |
| A | GLU76 |
| A | ARG127 |
| A | LYS132 |
| A | GLU135 |
| A | HOH191 |
| A | HOH241 |
| A | PE4300 |
| A | KDH403 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE KDH A 403 |
| Chain | Residue |
| A | ARG69 |
| A | SER72 |
| A | TRP73 |
| A | LEU86 |
| A | ASN90 |
| A | ASP112 |
| A | CYS113 |
| A | SER114 |
| A | HOH226 |
| A | KDH402 |
Functional Information from PROSITE/UniProt
| site_id | PS01096 |
| Number of Residues | 21 |
| Details | PPIC_PPIASE_1 PpiC-type peptidyl-prolyl cis-trans isomerase signature. FEsLAsqfSdcs.Saka..RGdLG |
| Chain | Residue | Details |
| A | PHE103-GLY123 |
| site_id | PS01159 |
| Number of Residues | 27 |
| Details | WW_DOMAIN_1 WW/rsp5/WWP domain signature. WekamsrssgrvYYfnhitnaSQWERP |
| Chain | Residue | Details |
| A | TRP11-PRO37 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER43 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS46 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine; by DAPK1 => ECO:0000269|PubMed:21497122, ECO:0000269|PubMed:29686383 |
| Chain | Residue | Details |
| A | SER71 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:17525332 |
| Chain | Residue | Details |
| A | SER108 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 511 |
| Chain | Residue | Details |
| A | HIS59 | proton shuttle (general acid/base) |
| A | CYS113 | covalently attached, electrostatic stabiliser |
| A | GLN131 | electrostatic stabiliser |
| A | SER154 | electrostatic stabiliser |
| A | HIS157 | electrostatic stabiliser |
