PDBsum entry 1o5u

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Unknown function PDB id
Protein chains
88 a.a. *
UNL ×3
Waters ×282
* Residue conservation analysis
PDB id:
Name: Unknown function
Title: Crystal structure of a duf861 family protein (tm1112) from t maritima at 1.83 a resolution
Structure: Novel thermotoga maritima enzyme tm1112. Chain: a, b. Engineered: yes
Source: Thermotoga maritima. Organism_taxid: 2336. Gene: tm1112. Expressed in: escherichia coli. Expression_system_taxid: 562.
1.83Å     R-factor:   0.173     R-free:   0.222
Authors: Joint Center For Structural Genomics (Jcsg)
Key ref:
D.McMullan et al. (2004). Crystal structure of a novel Thermotoga maritima enzyme (TM1112) from the cupin family at 1.83 A resolution. Proteins, 56, 615-618. PubMed id: 15229894 DOI: 10.1002/prot.20139
06-Oct-03     Release date:   11-Nov-03    
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Protein chains
Pfam   ArchSchema ?
Q9X0J6  (Q9X0J6_THEMA) -  Uncharacterized protein
89 a.a.
88 a.a.
Key:    PfamA domain  Secondary structure  CATH domain


DOI no: 10.1002/prot.20139 Proteins 56:615-618 (2004)
PubMed id: 15229894  
Crystal structure of a novel Thermotoga maritima enzyme (TM1112) from the cupin family at 1.83 A resolution.
D.McMullan, R.Schwarzenbacher, L.Jaroszewski, F.von Delft, H.E.Klock, J.Vincent, K.Quijano, P.Abdubek, E.Ambing, T.Biorac, L.S.Brinen, J.M.Canaves, X.Dai, A.M.Deacon, M.DiDonato, M.A.Elsliger, S.Eshaghi, R.Floyd, A.Godzik, C.Grittini, S.K.Grzechnik, E.Hampton, C.Karlak, E.Koesema, A.Kreusch, P.Kuhn, I.Levin, T.M.McPhillips, M.D.Miller, A.Morse, K.Moy, J.Ouyang, R.Page, R.Reyes, F.Rezezadeh, A.Robb, E.Sims, G.Spraggon, R.C.Stevens, H.van den Bedem, J.Velasquez, X.Wang, B.West, G.Wolf, Q.Xu, K.O.Hodgson, J.Wooley, S.A.Lesley, I.A.Wilson.
No abstract given.

  Selected figure(s)  
Figure 1.
Figure 1. Crystal structure of TM1112. A: Ribbon diagram of Thermotoga maritima TM1112 color coded from N-terminus (blue) to C-terminus (red) showing the domain organization viewed along (left) and normal (right) to the barrel axis. Helices (H1, H2), -sheets (A and A ), and -strands ( 1- 7) are indicated. B: Diagram showing the secondary structure elements in TM1112 superimposed on its primary sequence. The -sheets are indicated by a red A or A and the -hairpin is depicted as red loops. Residues adjacent to the the unknown ligand (UNL) molecule are marked with red dots (also see Fig. 2).
Figure 2.
Figure 2. A: The proposed active site of TM1112 is depicted with the unknown ligand molecule (UNL) bound to Lys84 and its coordinating residues (Trp24, Trp33, Glu39, Cys41, Tyr35, and Trp76) in ball and stick. B: Close up view of the active site with a 2Fo-Fc map around Lys84, the covalently-bound UNL and Cys41 contoured at 1 (marine blue). The atoms are indicated as follows: carbon (grey), oxygen (red), nitrogen (blue), sulfur (yellow), and UNL (pink). Potential covalent bonds for the UNL ligand are represented as dashed pink lines, but until ligand identification, these are quite speculative.
  The above figures are reprinted by permission from John Wiley & Sons, Inc.: Proteins (2004, 56, 615-618) copyright 2004.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
  20944235 B.Mohanty, P.Serrano, B.Pedrini, K.Jaudzems, M.Geralt, R.Horst, T.Herrmann, M.A.Elsliger, I.A.Wilson, and K.Wüthrich (2010).
Comparison of NMR and crystal structures for the proteins TM1112 and TM1367.
  Acta Crystallogr Sect F Struct Biol Cryst Commun, 66, 1381-1392.
PDB codes: 2k9z 2ka0
19478949 G.Agarwal, M.Rajavel, B.Gopal, and N.Srinivasan (2009).
Structure-based phylogeny as a diagnostic for functional characterization of proteins with a cupin fold.
  PLoS One, 4, e5736.  
16783794 Q.Xu, R.Schwarzenbacher, S.S.Krishna, D.McMullan, S.Agarwalla, K.Quijano, P.Abdubek, E.Ambing, H.Axelrod, T.Biorac, J.M.Canaves, H.J.Chiu, M.A.Elsliger, C.Grittini, S.K.Grzechnik, M.DiDonato, J.Hale, E.Hampton, G.W.Han, J.Haugen, M.Hornsby, L.Jaroszewski, H.E.Klock, M.W.Knuth, E.Koesema, A.Kreusch, P.Kuhn, M.D.Miller, K.Moy, E.Nigoghossian, J.Paulsen, R.Reyes, C.Rife, G.Spraggon, R.C.Stevens, H.van den Bedem, J.Velasquez, A.White, G.Wolf, K.O.Hodgson, J.Wooley, A.M.Deacon, A.Godzik, S.A.Lesley, and I.A.Wilson (2006).
Crystal structure of acireductone dioxygenase (ARD) from Mus musculus at 2.06 angstrom resolution.
  Proteins, 64, 808-813.
PDB code: 1vr3
17064285 S.B.Conners, E.F.Mongodin, M.R.Johnson, C.I.Montero, K.E.Nelson, and R.M.Kelly (2006).
Microbial biochemistry, physiology, and biotechnology of hyperthermophilic Thermotoga species.
  FEMS Microbiol Rev, 30, 872-905.  
16211521 R.Page, A.M.Deacon, S.A.Lesley, and R.C.Stevens (2005).
Shotgun crystallization strategy for structural genomics II: crystallization conditions that produce high resolution structures for T. maritima proteins.
  J Struct Funct Genomics, 6, 209-217.  
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