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6CHH

Structure of human NNMT in complex with bisubstrate inhibitor MS2756

Replaces:  6B1A
Functional Information from GO Data
ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006769biological_processnicotinamide metabolic process
A0008112molecular_functionnicotinamide N-methyltransferase activity
A0008168molecular_functionmethyltransferase activity
A0008757molecular_functionS-adenosylmethionine-dependent methyltransferase activity
A0009410biological_processresponse to xenobiotic stimulus
A0010243biological_processresponse to organonitrogen compound
A0016740molecular_functiontransferase activity
A0030760molecular_functionpyridine N-methyltransferase activity
A0031100biological_processanimal organ regeneration
A0032259biological_processmethylation
A0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
A0045722biological_processpositive regulation of gluconeogenesis
A0090312biological_processpositive regulation of protein deacetylation
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006769biological_processnicotinamide metabolic process
B0008112molecular_functionnicotinamide N-methyltransferase activity
B0008168molecular_functionmethyltransferase activity
B0008757molecular_functionS-adenosylmethionine-dependent methyltransferase activity
B0009410biological_processresponse to xenobiotic stimulus
B0010243biological_processresponse to organonitrogen compound
B0016740molecular_functiontransferase activity
B0030760molecular_functionpyridine N-methyltransferase activity
B0031100biological_processanimal organ regeneration
B0032259biological_processmethylation
B0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
B0045722biological_processpositive regulation of gluconeogenesis
B0090312biological_processpositive regulation of protein deacetylation
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0006769biological_processnicotinamide metabolic process
C0008112molecular_functionnicotinamide N-methyltransferase activity
C0008168molecular_functionmethyltransferase activity
C0008757molecular_functionS-adenosylmethionine-dependent methyltransferase activity
C0009410biological_processresponse to xenobiotic stimulus
C0010243biological_processresponse to organonitrogen compound
C0016740molecular_functiontransferase activity
C0030760molecular_functionpyridine N-methyltransferase activity
C0031100biological_processanimal organ regeneration
C0032259biological_processmethylation
C0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
C0045722biological_processpositive regulation of gluconeogenesis
C0090312biological_processpositive regulation of protein deacetylation
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0006769biological_processnicotinamide metabolic process
D0008112molecular_functionnicotinamide N-methyltransferase activity
D0008168molecular_functionmethyltransferase activity
D0008757molecular_functionS-adenosylmethionine-dependent methyltransferase activity
D0009410biological_processresponse to xenobiotic stimulus
D0010243biological_processresponse to organonitrogen compound
D0016740molecular_functiontransferase activity
D0030760molecular_functionpyridine N-methyltransferase activity
D0031100biological_processanimal organ regeneration
D0032259biological_processmethylation
D0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
D0045722biological_processpositive regulation of gluconeogenesis
D0090312biological_processpositive regulation of protein deacetylation
Functional Information from PDB Data
site_idAC1
Number of Residues25
Detailsbinding site for residue F0P A 301
ChainResidue
ATYR11
AASP85
ATYR86
AASN90
ACYS141
AASP142
AVAL143
ATHR163
ALEU164
AASP167
AALA168
ATYR20
AALA169
ASER201
ATYR204
ASER213
AHOH428
AHOH438
ATYR25
AGLY63
ASER64
AGLY65
ATHR67
ATYR69
AGLN70

site_idAC2
Number of Residues2
Detailsbinding site for residue EDO B 301
ChainResidue
BASN248
BHOH403

site_idAC3
Number of Residues3
Detailsbinding site for residue EDO B 302
ChainResidue
BGLY-1
BMET1
BGLU2

site_idAC4
Number of Residues26
Detailsbinding site for residue F0P B 303
ChainResidue
BTYR11
BTYR20
BTYR24
BTYR25
BGLY63
BSER64
BGLY65
BTHR67
BTYR69
BASP85
BTYR86
BASN90
BCYS141
BASP142
BVAL143
BTHR163
BLEU164
BCYS165
BASP167
BALA169
BSER201
BTYR204
BSER213
BHOH414
BHOH421
BHOH447

site_idAC5
Number of Residues26
Detailsbinding site for residue F0P C 301
ChainResidue
CTYR20
CTYR24
CTYR25
CGLY63
CSER64
CGLY65
CTHR67
CTYR69
CGLN70
CASP85
CTYR86
CASN90
CCYS141
CASP142
CVAL143
CTHR163
CLEU164
CCYS165
CASP167
CALA169
CSER201
CTYR204
CSER213
CTYR242
CHOH420
CHOH421

site_idAC6
Number of Residues24
Detailsbinding site for residue F0P D 301
ChainResidue
DASP167
DALA169
DSER201
DTYR204
DSER213
DTYR242
DHOH411
DTYR20
DTYR24
DTYR25
DGLY63
DSER64
DGLY65
DTHR67
DTYR69
DGLN70
DASP85
DTYR86
DASN90
DCYS141
DASP142
DVAL143
DTHR163
DLEU164

Functional Information from PROSITE/UniProt
site_idPS01100
Number of Residues17
DetailsNNMT_PNMT_TEMT NNMT/PNMT/TEMT family of methyltransferases signature. LIDIGSGPTIYQLLSAC
ChainResidueDetails
ALEU59-CYS75

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues32
DetailsBINDING: BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
ChainResidueDetails
ATYR20
BTYR25
BGLY63
BTYR69
BASP85
BASN90
BASP142
BTHR163
CTYR20
CTYR25
CGLY63
ATYR25
CTYR69
CASP85
CASN90
CASP142
CTHR163
DTYR20
DTYR25
DGLY63
DTYR69
DASP85
AGLY63
DASN90
DASP142
DTHR163
ATYR69
AASP85
AASN90
AASP142
ATHR163
BTYR20

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:21823666
ChainResidueDetails
AASP197
ASER213
BASP197
BSER213
CASP197
CSER213
DASP197
DSER213

site_idSWS_FT_FI3
Number of Residues12
DetailsMOD_RES: Citrulline; alternate => ECO:0000269|PubMed:30044909
ChainResidueDetails
AARG18
DARG18
DARG132
DARG181
AARG132
AARG181
BARG18
BARG132
BARG181
CARG18
CARG132
CARG181

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS39
BLYS39
CLYS39
DLYS39

217705

PDB entries from 2024-03-27

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