PDB entry 4i42

View 4i42 on RCSB PDB site
Description: E.coli. 1,4-dihydroxy-2-naphthoyl coenzyme A synthase (ecMenB) in complex with 1-hydroxy-2-naphthoyl-CoA
Class: lyase
Keywords: lyase
Deposited on 2012-11-27, released 2013-05-08
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-05-07, with a file datestamp of 2014-05-02.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.154
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42a_
  • Chain 'B':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42b_
  • Chain 'C':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42c_
  • Chain 'D':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42d_
  • Chain 'E':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42e_
  • Chain 'F':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42f_
  • Chain 'G':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42g_
  • Chain 'H':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42h_
  • Chain 'I':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42i_
  • Chain 'J':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42j_
  • Chain 'K':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42k_
  • Chain 'L':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Escherichia coli [TaxId:83333]
    Gene: b2262, JW2257, menB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i42l_
  • Heterogens: 1HA, EDO, SO4, CL, BCT, GOL, PEG, BTB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42A (A:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4i42B (B:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i42B (B:)
    iypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqala
    daryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpkp
    vvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkkar
    eiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadcd
    gqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4i42C (C:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i42C (C:)
    pdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqalada
    ryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpkpvv
    amvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkkarei
    wflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadcdgq
    aglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4i42D (D:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i42D (D:)
    iypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqala
    daryddnigviiltgagdkafcsggdqklnvldfqrqirtcpkpvvamvagysiggghvl
    hmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkkareiwflcrqydakqald
    mglvntvvpladleketvrwcremlqnspmalrclkaalnadcdgqaglqelagnatmlf
    ymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42E (E:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42F (F:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42G (G:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4i42H (H:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i42H (H:)
    iypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqala
    daryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpkp
    vvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkkar
    eiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadcd
    gqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42I (I:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'J':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42J (J:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'K':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42K (K:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp
    

  • Chain 'L':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4i42L (L:)
    miypdeamlyapvewhdcsegfediryekstdgiakitinrpqvrnafrpltvkemiqal
    adaryddnigviiltgagdkafcsggdqkvrgdyggykddsgvhhlnvldfqrqirtcpk
    pvvamvagysiggghvlhmmcdltiaadnaifgqtgpkvgsfdggwgasymarivgqkka
    reiwflcrqydakqaldmglvntvvpladleketvrwcremlqnspmalrclkaalnadc
    dgqaglqelagnatmlfymteegqegrnafnqkrqpdfskfkrnp