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3I64

Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH) and 1,4-dihydroxy-2-naphthoic acid (DHN)

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0008168molecular_functionmethyltransferase activity
A0008171molecular_functionO-methyltransferase activity
A0016740molecular_functiontransferase activity
A0017000biological_processantibiotic biosynthetic process
A0032259biological_processmethylation
A0046983molecular_functionprotein dimerization activity
B0003824molecular_functioncatalytic activity
B0008168molecular_functionmethyltransferase activity
B0008171molecular_functionO-methyltransferase activity
B0016740molecular_functiontransferase activity
B0017000biological_processantibiotic biosynthetic process
B0032259biological_processmethylation
B0046983molecular_functionprotein dimerization activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE SAH A 401
ChainResidue
ATRP133
AALA243
AASP247
ADNA402
AHOH548
AHIS153
AGLY177
AASP200
AGLY226
ASER227
APHE228
APHE229
ASER242

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DNA A 402
ChainResidue
APHE146
AMET150
AALA243
AHIS246
AASP247
ATYR293
APHE294
ASAH401

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 403
ChainResidue
ALEU301
AALA302
AGLY305
BALA302
BVAL315
BGOL404

site_idAC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE SAH B 401
ChainResidue
BPHE146
BMET150
BHIS153
BGLY177
BGLY179
BASP200
BLEU201
BPRO204
BGLY226
BSER227
BPHE228
BSER242
BALA243
BASP247
BDNA402
BHOH553

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE DNA B 402
ChainResidue
BPHE146
BMET150
BHIS153
BALA243
BHIS246
BASP247
BTYR293
BPHE294
BSAH401

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 404
ChainResidue
AGOL403
BALA302
BGLY305

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01020","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues22
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"19702337","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01020","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19702337","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1kyw
ChainResidueDetails
AHIS246

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1kyw
ChainResidueDetails
BHIS246

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PDB entries from 2025-12-24

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