2FHI
SUBSTRATE ANALOG (IB2) COMPLEX WITH THE HIS 96 ASN SUBSTITUTION OF THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0001650 | cellular_component | fibrillar center |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006163 | biological_process | purine nucleotide metabolic process |
| A | 0006915 | biological_process | apoptotic process |
| A | 0015964 | biological_process | diadenosine triphosphate catabolic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0031625 | molecular_function | ubiquitin protein ligase binding |
| A | 0032435 | biological_process | negative regulation of proteasomal ubiquitin-dependent protein catabolic process |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043530 | molecular_function | adenosine 5'-monophosphoramidase activity |
| A | 0047352 | molecular_function | adenylylsulfate-ammonia adenylyltransferase activity |
| A | 0047627 | molecular_function | adenylylsulfatase activity |
| A | 0047710 | molecular_function | bis(5'-adenosyl)-triphosphatase activity |
| A | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE IB2 A 301 |
| Chain | Residue |
| A | SER81 |
| A | GLN83 |
| A | GLY89 |
| A | THR91 |
| A | VAL92 |
| A | ASN96 |
| A | HIS98 |
| A | LEU100 |
| A | PHE5 |
| A | VAL26 |
| A | ASN27 |
| A | LEU37 |
| A | THR79 |
| A | PHE80 |
| site_id | HIT |
| Number of Residues | 3 |
| Details | THE HISTIDINE TRIAD SITE CONTAINS THE MOTIF COMMON TO PROTEINS IN THE HIT SUPERFAMILY OF NUCLEOTIDE-BINDING PROTEINS. HIS 96 IS THE PRINCIPAL ACTIVE SITE RESIDUE AND SUBSTITUTION WITH ASN REDUCES KCAT (10E6)-FOLD WITH LITTLE EFFECT ON KM. HIS 98 IS PROPOSED TO H-BOND TO THE SCISSILE BRIDGING OXYGEN OF DINUCLEOTIDE SUBSTRATES. |
| Chain | Residue |
| A | HIS94 |
| A | ASN96 |
| A | HIS98 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Tele-AMP-histidine intermediate => ECO:0000269|PubMed:15182206, ECO:0000269|PubMed:9323207 |
| Chain | Residue | Details |
| A | ASN96 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9261067, ECO:0007744|PDB:3FIT |
| Chain | Residue | Details |
| A | HIS8 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9323207, ECO:0007744|PDB:5FIT |
| Chain | Residue | Details |
| A | ASN27 | |
| A | GLN83 | |
| A | GLY89 | |
| A | HIS98 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | SITE: Important for induction of apoptosis => ECO:0000269|PubMed:16407838 |
| Chain | Residue | Details |
| A | TYR114 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine; by SRC => ECO:0000269|PubMed:15007172 |
| Chain | Residue | Details |
| A | TYR114 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:15007172 |
| Chain | Residue | Details |
| A | TYR145 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 5fit |
| Chain | Residue | Details |
| A | GLN83 | |
| A | ASN96 | |
| A | HIS94 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 101 |
| Chain | Residue | Details |
| A | GLN83 | electrostatic stabiliser, hydrogen bond donor |
| A | HIS94 | electrostatic stabiliser, increase electrophilicity, increase nucleophilicity |
| A | ASN96 | metal ligand, nucleofuge, nucleophile |
| A | HIS98 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
