1TFT

NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005654cellular_componentnucleoplasm
A0005634cellular_componentnucleus
A0043027molecular_functioncysteine-type endopeptidase inhibitor activity involved in apoptotic process
A0042802molecular_functionidentical protein binding
A0046872molecular_functionmetal ion binding
A0061630molecular_functionubiquitin protein ligase activity
A0004842molecular_functionubiquitin-protein transferase activity
A0006974biological_processcellular response to DNA damage stimulus
A0055070biological_processcopper ion homeostasis
A1990001biological_processinhibition of cysteine-type endopeptidase activity involved in apoptotic process
A0043066biological_processnegative regulation of apoptotic process
A0043154biological_processnegative regulation of cysteine-type endopeptidase activity involved in apoptotic process
A0090263biological_processpositive regulation of canonical Wnt signaling pathway
A1902530biological_processpositive regulation of protein linear polyubiquitination
A0031398biological_processpositive regulation of protein ubiquitination
A0030510biological_processregulation of BMP signaling pathway
A0042127biological_processregulation of cell proliferation
A0050727biological_processregulation of inflammatory response
A0045088biological_processregulation of innate immune response
A0070424biological_processregulation of nucleotide-binding oligomerization domain containing signaling pathway
A0016055biological_processWnt signaling pathway
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC14BINDING SITE FOR RESIDUE ZN A 999
ChainResidue
ACYS300
ACYS303
AHIS320
ACYS327

AC211BINDING SITE FOR RESIDUE 997 A 998
ChainResidue
ALYS297
ALYS299
AGLY306
ALEU307
ATHR308
AASP309
ALYS311
AGLU314
AGLN319
ATRP323
ATYR324

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
997_1tft_A_998141-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE binding site
ChainResidueligand
ALEU292997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
ALYS297-LYS299997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
AGLY306-LYS311997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
AGLU314997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
AGLN319997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
ATRP323-TYR324997: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0128266BIR repeat. [HKEPILVY]-x(2)-R-x(3,7)-[FYW]-x(11,14)-[STAN]-G-[LMF]-x-[FYHDA]-x(4)
ChainResidueDetails
ATYR265-LEU330

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI14Zinc (By similarity)
ChainResidueDetails
ACYS61
ACYS64
AHIS81
ACYS88

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Catalytic Information from CSA

site_idNumber of ResiduesDetails