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6LIL

Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004672molecular_functionprotein kinase activity
A0004740molecular_functionpyruvate dehydrogenase (acetyl-transferring) kinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005654cellular_componentnucleoplasm
A0005739cellular_componentmitochondrion
A0005759cellular_componentmitochondrial matrix
A0005829cellular_componentcytosol
A0005967cellular_componentobsolete mitochondrial pyruvate dehydrogenase complex
A0006006biological_processglucose metabolic process
A0006111biological_processregulation of gluconeogenesis
A0006885biological_processregulation of pH
A0008286biological_processinsulin receptor signaling pathway
A0010510biological_processregulation of acetyl-CoA biosynthetic process from pyruvate
A0010565biological_processregulation of cellular ketone metabolic process
A0010906biological_processregulation of glucose metabolic process
A0016301molecular_functionkinase activity
A0016310biological_processphosphorylation
A0016740molecular_functiontransferase activity
A0031670biological_processcellular response to nutrient
A0034614biological_processcellular response to reactive oxygen species
A0042593biological_processglucose homeostasis
A0042803molecular_functionprotein homodimerization activity
A0045254cellular_componentpyruvate dehydrogenase complex
A0050848biological_processregulation of calcium-mediated signaling
A0072332biological_processintrinsic apoptotic signaling pathway by p53 class mediator
B0000166molecular_functionnucleotide binding
B0004672molecular_functionprotein kinase activity
B0004740molecular_functionpyruvate dehydrogenase (acetyl-transferring) kinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005654cellular_componentnucleoplasm
B0005739cellular_componentmitochondrion
B0005759cellular_componentmitochondrial matrix
B0005829cellular_componentcytosol
B0005967cellular_componentobsolete mitochondrial pyruvate dehydrogenase complex
B0006006biological_processglucose metabolic process
B0006111biological_processregulation of gluconeogenesis
B0006885biological_processregulation of pH
B0008286biological_processinsulin receptor signaling pathway
B0010510biological_processregulation of acetyl-CoA biosynthetic process from pyruvate
B0010565biological_processregulation of cellular ketone metabolic process
B0010906biological_processregulation of glucose metabolic process
B0016301molecular_functionkinase activity
B0016310biological_processphosphorylation
B0016740molecular_functiontransferase activity
B0031670biological_processcellular response to nutrient
B0034614biological_processcellular response to reactive oxygen species
B0042593biological_processglucose homeostasis
B0042803molecular_functionprotein homodimerization activity
B0045254cellular_componentpyruvate dehydrogenase complex
B0050848biological_processregulation of calcium-mediated signaling
B0072332biological_processintrinsic apoptotic signaling pathway by p53 class mediator
Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue FLC A 401
ChainResidue
AVAL127
AARG162
AARG166
AHIS247
ATYR336
AHOH526
AHOH549
AHOH563

site_idAC2
Number of Residues4
Detailsbinding site for residue PEG A 402
ChainResidue
ALEU303
ATHR310
AHOH556
AARG258

site_idAC3
Number of Residues3
Detailsbinding site for residue GOL A 403
ChainResidue
AASP203
APRO242
ATYR246

site_idAC4
Number of Residues1
Detailsbinding site for residue SO4 A 404
ChainResidue
AARG370

site_idAC5
Number of Residues11
Detailsbinding site for residue EGX A 405
ChainResidue
ALEU31
AGLN35
APHE36
APHE39
ATHR48
ASER49
APHE52
ATYR215
ATYR216
AGLU262
AGLU265

site_idAC6
Number of Residues9
Detailsbinding site for residue FLC B 401
ChainResidue
BVAL127
BARG162
BARG166
BHIS247
BTYR336
BHOH536
BHOH538
BHOH564
BHOH567

site_idAC7
Number of Residues9
Detailsbinding site for residue PEG B 402
ChainResidue
BASN255
BARG258
BTHR310
BGLY327
BGLY329
BLEU330
BHOH570
BHOH576
BHOH605

site_idAC8
Number of Residues1
Detailsbinding site for residue PEG B 403
ChainResidue
BASP203

site_idAC9
Number of Residues10
Detailsbinding site for residue EGX B 404
ChainResidue
BLEU31
BGLN35
BPHE36
BPHE39
BPHE52
BTYR215
BTYR216
BGLU262
BGLU265
BHOH542

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:16401071
ChainResidueDetails
AGLU251
AASP290
AGLY325
BGLU251
BASP290
BGLY325

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER309
BSER309

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q15118
ChainResidueDetails
ATYR215
ATYR216
BTYR215
BTYR216

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8BFP9
ChainResidueDetails
ALYS376
BLYS376

218853

PDB entries from 2024-04-24

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