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3S95

Crystal structure of the human LIMK1 kinase domain in complex with staurosporine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE STU A 1
ChainResidue
ALEU345
AILE416
AGLY419
ATHR420
AHIS464
AASN465
ALEU467
AHOH681
AGLY346
AVAL366
ALYS368
AGLU384
ALEU397
ATHR413
AGLU414
ATYR415

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE STU B 1
ChainResidue
BLEU345
BGLY346
BALA353
BVAL366
BLYS368
BGLU384
BTHR413
BGLU414
BTYR415
BILE416
BGLY419
BTHR420
BHIS464
BASN465
BLEU467
BHOH707

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 638
ChainResidue
AASN574
BHOH47
BHOH202
BLEU391
BGLU392

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 2
ChainResidue
AHOH44
AHOH254
ALEU391
AGLU392
BASN574

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 638
ChainResidue
AMET0
BLEU567
BASP568

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 2
ChainResidue
BHOH83
BHIS452
BSER453

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 3
ChainResidue
AHOH80
AHOH263
AGLY544
AARG545

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 4
ChainResidue
APRO513
ATYR514
APRO550
AHOH758

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 5
ChainResidue
AHOH263
AARG569

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 6
ChainResidue
AHOH37
AARG585
AGLU592
ALYS593
AARG594
ALYS599

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 7
ChainResidue
APRO619
AGLN620
AGLN623
BILE521
BARG555

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE GOL A 8
ChainResidue
AHIS602

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 9
ChainResidue
ASER-1
BASP568
BARG569
BCYS571

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 10
ChainResidue
BHOH124
BHIS602
BHOH774

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 11
ChainResidue
AASP568
AARG569
ACYS571
BSER-1

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MRD B 639
ChainResidue
AHOH36
AHOH50
APRO550
AASP551
ATYR552
BLYS599
BHIS602
BGLN620

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 639
ChainResidue
APRO619
AGLN620

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 640
ChainResidue
BHOH24
BHOH131
BARG437
BARG545
BPRO572

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE TRS B 641
ChainResidue
BHIS464
BHOH690
BHOH768
BHOH201
BARG422
BLYS426

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE TRS A 640
ChainResidue
AARG422
ALYS426
AHIS464
AASN547
AHOH740
AHOH778

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGCFGQAIkVthretgev..........MVMK
ChainResidueDetails
ALEU345-LYS368

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
AASP460
BASP460

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU345
ALYS368
BLEU345
BLYS368

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18691976
ChainResidueDetails
ASER337
BSER337

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by ROCK1 and PAK1 => ECO:0000269|PubMed:10559936, ECO:0000269|PubMed:10652353, ECO:0000269|PubMed:15660133, ECO:0000269|PubMed:23633677
ChainResidueDetails
ATHR508
BTHR508

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PDB entries from 2024-07-17

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