PDB entry 4q9n

View 4q9n on RCSB PDB site
Description: Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Enoyl-ACP reductase, NADH, AFN-1252, fatty acid synthesis, Chlamydia, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2014-05-01, released 2014-06-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-08-27, with a file datestamp of 2014-08-22.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: 0.188
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9na_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9nb_
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9nc_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9nd_
  • Chain 'E':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9ne_
  • Chain 'F':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9nf_
  • Chain 'G':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9ng_
  • Chain 'H':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Chlamydia trachomatis F/11-96 [TaxId:1340853]
    Gene: fabI(CT104), O173_00565
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4q9nh_
  • Heterogens: NAI, 0WE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4q9nA (A:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nA (A:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4q9nB (B:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nB (B:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4q9nC (C:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nC (C:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4q9nD (D:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nD (D:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4q9nE (E:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nE (E:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4q9nF (F:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nF (F:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4q9nG (G:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nG (G:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4q9nH (H:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemfpkd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q9nH (H:)
    mlkidltgkiafiagigddngygwgiakmlaeagatilvgtwvpiykifsqslelgkfna
    srelsngelltfakiypmdasfdtpedipqeilenkrykdlsgytvsevveqvkkhfghi
    dilvhslanspeiakplldtsrkgylaalstssysfisllshfgpimnagastisltyla
    smravpgygggmnaakaalesdtkvlaweagrrwgvrvntisagplasragkaigfierm
    vdyyqdwaplpspmeaeqvgaaaaflvsplasaitgetlyvdhganvmgigpemf