BMRB Entry 4313

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4313
MolProbity Validation Chart

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Title:
1H, 13C and 15N NMR Assignments for a Carbon Monoxide Generating Metalloenzyme from Klebsiella pneumoniae, Acireductone Dioxygenase (ARD)
Deposition date:
1999-03-03
Original release date:
2007-11-12
Authors:
Mo, Huaping; Dai, Yong; Pochapsky, Susan; Pochapsky, Thomas
Citation:

Citation: Pochapsky, Susan; Joel, Sunsine; Pochapsky, Thomas. "."  .

Assembly members:

Assembly members:
acireductone dioxygenase, polymer, 179 residues, 20185 Da.
NI, non-polymer, 58.693 Da.

Natural source:

Natural source:   Common Name: Klebsiella   Taxonomy ID: 573   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Klebsiella pneumoniae

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
acireductone dioxygenase: SALTIFSVKDPQNSLWHSTN AEEIQQQLNAKGVRFERWQA DRDLGAAPTAETVIAAYQHA IDKLVAEKGYQSWDVISLRA DNPQKEALREKFLNEHTHGE DEVRFFVEGAGLFCLHIGDE VFQVLCEKNDLISVPAHTPH WFDMGSEPNFTAIRIFDNPE GWIAQFTGDDIASAYPRLA

Data sets:
Data typeCount
13C chemical shifts639
15N chemical shifts176
1H chemical shifts982
coupling constants119
residual dipolar couplings145

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1ARD subunit 11
2NI2

Entities:

Entity 1, ARD subunit 1 179 residues - 20185 Da.

1   SERALALEUTHRILEPHESERVALLYSASP
2   PROGLNASNSERLEUTRPHISSERTHRASN
3   ALAGLUGLUILEGLNGLNGLNLEUASNALA
4   LYSGLYVALARGPHEGLUARGTRPGLNALA
5   ASPARGASPLEUGLYALAALAPROTHRALA
6   GLUTHRVALILEALAALATYRGLNHISALA
7   ILEASPLYSLEUVALALAGLULYSGLYTYR
8   GLNSERTRPASPVALILESERLEUARGALA
9   ASPASNPROGLNLYSGLUALALEUARGGLU
10   LYSPHELEUASNGLUHISTHRHISGLYGLU
11   ASPGLUVALARGPHEPHEVALGLUGLYALA
12   GLYLEUPHECYSLEUHISILEGLYASPGLU
13   VALPHEGLNVALLEUCYSGLULYSASNASP
14   LEUILESERVALPROALAHISTHRPROHIS
15   TRPPHEASPMETGLYSERGLUPROASNPHE
16   THRALAILEARGILEPHEASPASNPROGLU
17   GLYTRPILEALAGLNPHETHRGLYASPASP
18   ILEALASERALATYRPROARGLEUALA

Entity 2, NI - Ni - 58.693 Da.

1   NI

Samples:

sample_1: acireductone dioxygenase, [U-98% 15N], 3 mM

sample_2: acireductone dioxygenase, [U-98% 13C; U-98% 15N], 2.0 mM

sample_3: acireductone dioxygenase, [U-98% 13C; U-98% 15N], 2.0 mM; C12E5/n-hexanol 5%

sample_4: acireductone dioxygenase, [U-98% 13C; U-98% 15N], 2.0 mM; filamentous phage 5%

Ex-cond_1: pH: 7.4; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
NOESY-1Hnot availablenot availableEx-cond_1
15N HSQCnot availablenot availableEx-cond_1
TOCSY-1Hnot availablenot availableEx-cond_1
HNCOnot availablenot availableEx-cond_1
HNCAnot availablenot availableEx-cond_1
HN(CO)CAnot availablenot availableEx-cond_1
CBCA(CO)NHnot availablenot availableEx-cond_1
HBHA(CBCACO)NHnot availablenot availableEx-cond_1
gd-HCACOnot availablenot availableEx-cond_1

Software:

FELIX v97 - assignment, processing

nmrPipe - processing

NMR spectrometers:

  • Varian Unity Plus 750 MHz
  • Bruker DMX 600 MHz
  • Bruker AMX 500 MHz

Related Database Links:

PDB
DBJ BAS39524
EMBL CDL21583
GB AAD11793 AEX04546 AFN31360 AHW90075 AID89020
REF WP_004100130 WP_004111302 WP_004130392 WP_004135399 WP_004848741
SP Q9ZFE7
AlphaFold Q9ZFE7

Download HSQC peak lists in one of the following formats:
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SPARKY: Backbone or all simulated peaks