PDB entry 6n94

View 6n94 on RCSB PDB site
Description: Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA
Class: lyase
Keywords: crotonase, beta-keto, isostere, LYASE
Deposited on 2018-11-30, released 2019-04-10
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-04-10, with a file datestamp of 2019-04-05.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94a_
  • Chain 'B':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94b_
  • Chain 'C':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94c_
  • Chain 'D':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94d_
  • Chain 'E':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94e_
  • Chain 'F':
    Compound: Methylmalonyl-CoA decarboxylase
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: scpB, mmcD, ygfG, b2919, JW2886
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52045 (Start-260)
      • engineered mutation (1)
    Domains in SCOPe 2.08: d6n94f_
  • Heterogens: KGJ, NI, PEG, K, PG4, IMD, PGE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6n94A (A:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94A (A:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6n94B (B:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94B (B:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6n94C (C:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94C (C:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6n94D (D:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94D (D:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >6n94E (E:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94E (E:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >6n94F (F:)
mayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgsk
vfsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdl
iiaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnh
vveveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravyds
edyqegmnaflekrkpnfvgh

    Sequence, based on observed residues (ATOM records): (download) 
    >6n94F (F:)
ayqyvnvvtinkvaviefnygrklnalskvfiddlmqalsdlnrpeirciilrapsgskv
fsaghdihelpsggrdplsyddplrqitrmiqkfpkpiismvegsvwggafemimssdli
iaaststfsmtpvnlgvpynlvgihnltrdagfhivkeliftaspitaqralavgilnhv
veveeledftlqmahhisekaplaiavikeelrvlgeahtmnsdeferiqgmrravydse
dyqegmnaflekrkpnfvgh