PDB entry 4i52

View 4i52 on RCSB PDB site
Description: scMenB im complex with 1-hydroxy-2-naphthoyl-CoA
Class: lyase
Keywords: crotonase, 1,4-dihydroxy-2-naphthoyl coenzyme A synthase, LYASE
Deposited on 2012-11-28, released 2013-05-08
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.23
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52a_
  • Chain 'B':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52b_
  • Chain 'C':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52c_
  • Chain 'D':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52d_
  • Chain 'E':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52e_
  • Chain 'F':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52f_
  • Chain 'G':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52g_
  • Chain 'H':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52h_
  • Chain 'I':
    Compound: naphthoate synthase
    Species: Synechocystis sp. [TaxId:1111708]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i52i_
  • Heterogens: 1HA, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52A (A:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52B (B:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4i52C (C:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

    Sequence, based on observed residues (ATOM records): (download) 
    >4i52C (C:)
dwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvllt
gagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagyai
ggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqys
aqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqelag
natllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52D (D:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4i52E (E:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

    Sequence, based on observed residues (ATOM records): (download) 
    >4i52E (E:)
dwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvllt
gagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagyai
ggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqys
aqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqelag
natllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >4i52F (F:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

    Sequence, based on observed residues (ATOM records): (download) 
    >4i52F (F:)
dwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvllt
gagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagyai
ggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqys
aqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqelag
natllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52G (G:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52H (H:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4i52I (I:)
mdwhiakhyddilyykaggiakivinrphkrnafrpqtvfelydafcnarednrigvvll
tgagphsdgkyafcsggdqsvrgeggyiddqgtprlnvldlqrlirsmpkvvialvagya
iggghvlhlvcdltiaadnaifgqtgpkvgsfdggfgssylarivgqkkareiwylcrqy
saqeaermgmvntvvpvdrleeegiqwakeilsksplairclkaafnadcdgqaglqela
gnatllyymteegsegkqaflekrppdfsqypwlp