1S32

Molecular Recognition of the Nucleosomal 'Supergroove'

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Functional Information from GO Data

ChainGOidnamespacecontents
C0000786cellular_componentnucleosome
C0005634cellular_componentnucleus
C0003677molecular_functionDNA binding
C0046982molecular_functionprotein heterodimerization activity
G0000786cellular_componentnucleosome
G0005634cellular_componentnucleus
G0003677molecular_functionDNA binding
G0046982molecular_functionprotein heterodimerization activity
D0000786cellular_componentnucleosome
D0005634cellular_componentnucleus
D0003677molecular_functionDNA binding
D0046982molecular_functionprotein heterodimerization activity
H0000786cellular_componentnucleosome
H0005634cellular_componentnucleus
H0003677molecular_functionDNA binding
H0046982molecular_functionprotein heterodimerization activity
A0005654cellular_componentnucleoplasm
A0000786cellular_componentnucleosome
A0003677molecular_functionDNA binding
A0046982molecular_functionprotein heterodimerization activity
E0005654cellular_componentnucleoplasm
E0000786cellular_componentnucleosome
E0003677molecular_functionDNA binding
E0046982molecular_functionprotein heterodimerization activity
B0000786cellular_componentnucleosome
B0005634cellular_componentnucleus
B0003677molecular_functionDNA binding
B0046982molecular_functionprotein heterodimerization activity
B0006352biological_processDNA-templated transcription, initiation
F0000786cellular_componentnucleosome
F0005634cellular_componentnucleus
F0003677molecular_functionDNA binding
F0046982molecular_functionprotein heterodimerization activity
F0006352biological_processDNA-templated transcription, initiation
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC16BINDING SITE FOR RESIDUE MN E 2001
ChainResidue
DVAL1245
EASP677
EHOH3391
EHOH3393
EHOH3394
FHOH3392

AC26BINDING SITE FOR RESIDUE MN J 2002
ChainResidue
IHOH3396
JDG246
JHOH3395
JHOH3397
JHOH3398
JHOH3399

AC33BINDING SITE FOR RESIDUE MN I 2003
ChainResidue
IDG70
IDG71
IHOH3400

AC44BINDING SITE FOR RESIDUE MN I 2004
ChainResidue
IDG134
IHOH3401
IHOH3402
IHOH3403

AC52BINDING SITE FOR RESIDUE MN J 2005
ChainResidue
JDG280
JHOH3641

AC63BINDING SITE FOR RESIDUE MN I 2006
ChainResidue
IDG100
IHOH3526
IHOH3832

AC73BINDING SITE FOR RESIDUE MN I 2007
ChainResidue
IDG39
IDG40
IHOH3153

AC84BINDING SITE FOR RESIDUE MN J 2008
ChainResidue
JDT266
JDG267
JHOH3047
JHOH3411

AC91BINDING SITE FOR RESIDUE MN I 2009
ChainResidue
IDG121

BC12BINDING SITE FOR RESIDUE MN J 2010
ChainResidue
JDG217
JHOH3491

BC21BINDING SITE FOR RESIDUE MN J 2011
ChainResidue
JDG227

BC34BINDING SITE FOR RESIDUE MN I 2012
ChainResidue
IHOH3821
JHOH3295
JHOH3820
JHOH3833

BC43BINDING SITE FOR RESIDUE MN J 2013
ChainResidue
JDG185
JDG186
JHOH3499

BC53BINDING SITE FOR RESIDUE MN I 2014
ChainResidue
IDG137
IDG138
IHOH3233

BC62BINDING SITE FOR RESIDUE CL E 2015
ChainResidue
EPRO721
ELYS722

BC76BINDING SITE FOR RESIDUE CL G 2016
ChainResidue
GGLY1044
GALA1045
GGLY1046
GALA1047
HTHR1487
HSER1488

BC82BINDING SITE FOR RESIDUE CL A 2017
ChainResidue
APRO521
ALYS522

BC94BINDING SITE FOR RESIDUE CL D 2018
ChainResidue
CGLY846
CALA847
DTHR1287
DSER1288

CC15BINDING SITE FOR RESIDUE IMT I 1601
ChainResidue
IDG31
IDT32
IPYB1602
IPYB1608
IPYB1609

CC26BINDING SITE FOR RESIDUE PYB I 1602
ChainResidue
IDT32
IDG33
IIMT1601
IIMT1603
IPYB1607
IPYB1608

CC35BINDING SITE FOR RESIDUE IMT I 1603
ChainResidue
IDG33
IDT34
IDA35
IPYB1602
IPYB1604

CC47BINDING SITE FOR RESIDUE PYB I 1604
ChainResidue
IDT34
IDA35
IDT36
IIMT1603
IABU1605
IPYB1606
IHOH3243

CC55BINDING SITE FOR RESIDUE ABU I 1605
ChainResidue
IPYB1604
IPYB1606
JDA259
JDC260
JOGG1700

CC67BINDING SITE FOR RESIDUE PYB I 1606
ChainResidue
IPYB1604
IABU1605
IPYB1607
JDA259
JDC260
JDA261
JOGG1700

CC75BINDING SITE FOR RESIDUE PYB I 1607
ChainResidue
IPYB1602
IPYB1606
IPYB1608
JDC260
JDA261

CC87BINDING SITE FOR RESIDUE PYB I 1608
ChainResidue
IIMT1601
IPYB1602
IPYB1607
IPYB1609
JDA261
JDC262
JDT263

CC96BINDING SITE FOR RESIDUE PYB I 1609
ChainResidue
IDG31
IIMT1601
IPYB1608
IBAL1610
JDC262
JDT263

DC15BINDING SITE FOR RESIDUE BAL I 1610
ChainResidue
IDA30
IDG31
IPYB1609
IDIB1611
JDT263

DC25BINDING SITE FOR RESIDUE DIB I 1611
ChainResidue
IDA29
IDA30
IBAL1610
JDT265
JDT266

DC34BINDING SITE FOR RESIDUE IMT I 1621
ChainResidue
IPYB1622
IPYB1628
IPYB1629
JDT178

DC46BINDING SITE FOR RESIDUE PYB I 1622
ChainResidue
IIMT1621
IIMT1623
IPYB1627
IPYB1628
JDT178
JDG179

DC56BINDING SITE FOR RESIDUE IMT I 1623
ChainResidue
IPYB1622
IPYB1624
IPYB1627
JDG179
JDT180
JDA181

DC67BINDING SITE FOR RESIDUE PYB I 1624
ChainResidue
IDA113
IIMT1623
IABU1625
IPYB1626
JDT180
JDA181
JDT182

DC75BINDING SITE FOR RESIDUE ABU I 1625
ChainResidue
IDA113
IPYB1624
IPYB1626
JDA181
JOGG1700

DC87BINDING SITE FOR RESIDUE PYB I 1626
ChainResidue
IDA113
IDC114
IDA115
IPYB1624
IABU1625
IPYB1627
JOGG1700

DC97BINDING SITE FOR RESIDUE PYB I 1627
ChainResidue
IDC114
IDA115
IDC116
IPYB1622
IIMT1623
IPYB1626
IPYB1628

EC17BINDING SITE FOR RESIDUE PYB I 1628
ChainResidue
IDA115
IDC116
IDT117
IIMT1621
IPYB1622
IPYB1627
IPYB1629

EC28BINDING SITE FOR RESIDUE PYB I 1629
ChainResidue
GLYS1013
IDC116
IDT117
IDT118
IIMT1621
IPYB1628
IBAL1630
JDG177

EC35BINDING SITE FOR RESIDUE BAL I 1630
ChainResidue
GALA1014
IPYB1629
IDIB1631
JDA176
JDG177

EC45BINDING SITE FOR RESIDUE DIB I 1631
ChainResidue
IDT119
IDT120
IBAL1630
JDA175
JDA176

EC56BINDING SITE FOR RESIDUE OGG J 1700
ChainResidue
IDA113
IABU1605
IPYB1606
IABU1625
IPYB1626
JDA259

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

site_idNumber of ResiduesDetails
DIB_1s32_I_161163-AMINO-(DIMETHYLPROPYLAMINE) binding site
ChainResidueligand
IDA29-DG31DIB: 3-AMINO-(DIMETHYLPROPYLAMINE)
JDT264-DT266DIB: 3-AMINO-(DIMETHYLPROPYLAMINE)

BAL_1s32_I_16106BETA-ALANINE binding site
ChainResidueligand
IDA30-DG31BAL: BETA-ALANINE
JDT263-DT265BAL: BETA-ALANINE
CALA814BAL: BETA-ALANINE

IMT_1s32_I_160154-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG31-DG33IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID
CALA812IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID
CALA814IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160964-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG31PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDC262-DT264PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
CALA812PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
CALA814PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160234-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG31-DG33PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160844-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG31PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDA261-DT263PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

IMT_1s32_I_160334-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG33-DA35IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160464-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG33-DT36PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDA259-DC260PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160744-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDG33PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDC260-DC262PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

ABU_1s32_I_16054GAMMA-AMINO-BUTANOIC ACID binding site
ChainResidueligand
IDA35-DT36ABU: GAMMA-AMINO-BUTANOIC ACID
JDA259-DC260ABU: GAMMA-AMINO-BUTANOIC ACID

ABU_1s32_I_16255GAMMA-AMINO-BUTANOIC ACID binding site
ChainResidueligand
IDT112-DC114ABU: GAMMA-AMINO-BUTANOIC ACID
JDA181-DT182ABU: GAMMA-AMINO-BUTANOIC ACID

OGG_1s32_J_170042-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE binding site
ChainResidueligand
IDT112-DA113OGG: 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE
JDA259-DC260OGG: 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE

PYB_1s32_I_162634-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDA113-DA115PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_162464-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDA113-DC114PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDG179-DT182PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_162744-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDC114-DC116PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDG179PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_162844-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDA115-DT117PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDG179PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

PYB_1s32_I_162964-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
IDC116-DT118PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
JDG177PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
GLYS1013-ALA1014PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

BAL_1s32_I_16305BETA-ALANINE binding site
ChainResidueligand
IDT117-DT118BAL: BETA-ALANINE
JDA176-DG177BAL: BETA-ALANINE
GALA1014BAL: BETA-ALANINE

DIB_1s32_I_163163-AMINO-(DIMETHYLPROPYLAMINE) binding site
ChainResidueligand
IDT118-DT120DIB: 3-AMINO-(DIMETHYLPROPYLAMINE)
JDA175-DG177DIB: 3-AMINO-(DIMETHYLPROPYLAMINE)

IMT_1s32_I_162134-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
JDG177-DG179IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID

PYB_1s32_I_162234-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
JDT178-DT180PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

IMT_1s32_I_162334-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
JDG179-DA181IMT: 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID

PYB_1s32_I_160634-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID binding site
ChainResidueligand
JDA259-DA261PYB: 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0035746Histone H2B signature. [KR]-E-[LIVM]-[EQ]-T-x(2)-[KR]-x-[LIVM](2)-x-[PAG]-[DE]-L-x-[KR]-H-A
ChainResidueDetails
DARG1289-GLY1311
HARG1489-GLY1511

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI15
ChainResidueDetails
BNA*

SWS_FT_FI25
ChainResidueDetails
FLYS16-LYS20

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Catalytic Information from CSA

site_idNumber of ResiduesDetails