BMRB Entry 53218

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53218

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Title:
Solid-state NMR chemical shift and inter-residue distances for CdrA from Pseudomonas aeruginosa
Deposition date:
2025-06-06
Original release date:
2026-09-15
Authors:
Fazio, Nicole; Moss, Evan; Barrington, Marshall; Davidson, Colin; Jaysingh, Anshuman; BoClair, Mariah; Di Trani, Justin; Reichhardt, Courtney
Citation:

Citation: Fazio, Nicole; Moss, Evan; Barrington, Marshall; BoClair, Mariah; Jaysingh, Anshuman; di Trani, Justin; Reichhardt, Courtney. "Structure of the Pseudomonas aeruginosa fibrillar adhesin CdrA reveals a clawlike domain and modular repeats "  Commun. Biol. ., .-. (2026).

Assembly members:

Assembly members:
entity_1, polymer, 1128 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Pseudomonas aeruginosa   Taxonomy ID: 287   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Pseudomonas aeruginosa   Vector: pBADcdrAB

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: PAQLIVSADAKTKVYGDADP TLTYQVSGLKNSDTAAGVLS GNLGRVAGENVGNYGILQGG LGLNTANYTLSYVGNDLRIT PAQLNVIADAKTKVYGDLDP ALTYQVSGLKRGDTAGAVLN GGSLSRVAGENVGVYGINQG GLGLVSSNYTLNYQGNNLTI TKALLNVIADAKTKVYGDAD PALTYQVSGLKNGDTAGAVL NGGSLSRVAGENVGVYGINQ GGLGLLSANYDLSYQGNNLT ITKALLNVIADAKTKVYGDA DPSLTYQVSGLKNGDTAGSI LTGGLNRAAGENVGVYGINQ GDLALNSGNYDLSYQGNNLT ITKALLNVIADAKTKVYGDA DPSLTYQVSGLKNGDTAGAV LNGGGLVRVSGENVGNYAIQ QGGLGLVSGNYDLAYQGNNL TITKALLNVIADAKTKVYGD ADPSLTYQVSGLKNGDSAGS ILTGGLNRAAGENVGVYGIN QGDLALNSGNYDLSYQGNNL TITKALLNVIADAKTKVYGD ADPSLTYQVSGLKNGDTAGA VLNGGGLVRVSGENVGNYAI QQGGLGLVSGNYDLAYQGNN LTITKALLNVIADAKTKVYG DADPSLTYQVSGLKNGDTAG AVLNGGSLSRVAGENVGVYG INQGDLALNSGNYDLSYQGN NLTITKALLNVIADAKTKVY GDADPSLTYQVSGLKNGDTA GAVLNGGGLVRVSGENVGNY AIQQGGLGLVSGNYDLAYQG NNLTITKALLNVIADAKTKV YGDADPSLTYQVSGLKNGDS AGSILTGGLNRAAGENVGVY GINQGDLALNSGNYDLSYQG NNLTITKALLNVIADAKTKV YGDADPSLTYQVSGLKNGDT AGAVLNGGGLVRVSGENVGN YAIQQGGLGLVSGNYDLAYQ GNNLTITKALLNVIADAKTK VYGDADPSLTYQVSGLKNGD TAGAVLNGGSLSRVAGENVG VYGINQGGLGLVSGNYDLAY QGNNLTITKALLNVIADGKT KVYGDADPSLTYQVSGLKNG DSAGSILTGGLNRDAGENVG VYGINQGGLVLTSGNYDLAY QGNDLTITKALLNVFADAKS KQVGTADPALTYQVSGLKNG DSAGQVLAGGLGRVGGEAVG QYDILQGGLALTSGNYQLNY QGNLLSIL

Data sets:
Data typeCount
13C chemical shifts750
15N chemical shifts275

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CdrA1

Entities:

Entity 1, CdrA 1128 residues - Formula weight is not available

1   PROALAGLNLEUILEVALSERALAASPALA
2   LYSTHRLYSVALTYRGLYASPALAASPPRO
3   THRLEUTHRTYRGLNVALSERGLYLEULYS
4   ASNSERASPTHRALAALAGLYVALLEUSER
5   GLYASNLEUGLYARGVALALAGLYGLUASN
6   VALGLYASNTYRGLYILELEUGLNGLYGLY
7   LEUGLYLEUASNTHRALAASNTYRTHRLEU
8   SERTYRVALGLYASNASPLEUARGILETHR
9   PROALAGLNLEUASNVALILEALAASPALA
10   LYSTHRLYSVALTYRGLYASPLEUASPPRO
11   ALALEUTHRTYRGLNVALSERGLYLEULYS
12   ARGGLYASPTHRALAGLYALAVALLEUASN
13   GLYGLYSERLEUSERARGVALALAGLYGLU
14   ASNVALGLYVALTYRGLYILEASNGLNGLY
15   GLYLEUGLYLEUVALSERSERASNTYRTHR
16   LEUASNTYRGLNGLYASNASNLEUTHRILE
17   THRLYSALALEULEUASNVALILEALAASP
18   ALALYSTHRLYSVALTYRGLYASPALAASP
19   PROALALEUTHRTYRGLNVALSERGLYLEU
20   LYSASNGLYASPTHRALAGLYALAVALLEU
21   ASNGLYGLYSERLEUSERARGVALALAGLY
22   GLUASNVALGLYVALTYRGLYILEASNGLN
23   GLYGLYLEUGLYLEULEUSERALAASNTYR
24   ASPLEUSERTYRGLNGLYASNASNLEUTHR
25   ILETHRLYSALALEULEUASNVALILEALA
26   ASPALALYSTHRLYSVALTYRGLYASPALA
27   ASPPROSERLEUTHRTYRGLNVALSERGLY
28   LEULYSASNGLYASPTHRALAGLYSERILE
29   LEUTHRGLYGLYLEUASNARGALAALAGLY
30   GLUASNVALGLYVALTYRGLYILEASNGLN
31   GLYASPLEUALALEUASNSERGLYASNTYR
32   ASPLEUSERTYRGLNGLYASNASNLEUTHR
33   ILETHRLYSALALEULEUASNVALILEALA
34   ASPALALYSTHRLYSVALTYRGLYASPALA
35   ASPPROSERLEUTHRTYRGLNVALSERGLY
36   LEULYSASNGLYASPTHRALAGLYALAVAL
37   LEUASNGLYGLYGLYLEUVALARGVALSER
38   GLYGLUASNVALGLYASNTYRALAILEGLN
39   GLNGLYGLYLEUGLYLEUVALSERGLYASN
40   TYRASPLEUALATYRGLNGLYASNASNLEU
41   THRILETHRLYSALALEULEUASNVALILE
42   ALAASPALALYSTHRLYSVALTYRGLYASP
43   ALAASPPROSERLEUTHRTYRGLNVALSER
44   GLYLEULYSASNGLYASPSERALAGLYSER
45   ILELEUTHRGLYGLYLEUASNARGALAALA
46   GLYGLUASNVALGLYVALTYRGLYILEASN
47   GLNGLYASPLEUALALEUASNSERGLYASN
48   TYRASPLEUSERTYRGLNGLYASNASNLEU
49   THRILETHRLYSALALEULEUASNVALILE
50   ALAASPALALYSTHRLYSVALTYRGLYASP
51   ALAASPPROSERLEUTHRTYRGLNVALSER
52   GLYLEULYSASNGLYASPTHRALAGLYALA
53   VALLEUASNGLYGLYGLYLEUVALARGVAL
54   SERGLYGLUASNVALGLYASNTYRALAILE
55   GLNGLNGLYGLYLEUGLYLEUVALSERGLY
56   ASNTYRASPLEUALATYRGLNGLYASNASN
57   LEUTHRILETHRLYSALALEULEUASNVAL
58   ILEALAASPALALYSTHRLYSVALTYRGLY
59   ASPALAASPPROSERLEUTHRTYRGLNVAL
60   SERGLYLEULYSASNGLYASPTHRALAGLY
61   ALAVALLEUASNGLYGLYSERLEUSERARG
62   VALALAGLYGLUASNVALGLYVALTYRGLY
63   ILEASNGLNGLYASPLEUALALEUASNSER
64   GLYASNTYRASPLEUSERTYRGLNGLYASN
65   ASNLEUTHRILETHRLYSALALEULEUASN
66   VALILEALAASPALALYSTHRLYSVALTYR
67   GLYASPALAASPPROSERLEUTHRTYRGLN
68   VALSERGLYLEULYSASNGLYASPTHRALA
69   GLYALAVALLEUASNGLYGLYGLYLEUVAL
70   ARGVALSERGLYGLUASNVALGLYASNTYR
71   ALAILEGLNGLNGLYGLYLEUGLYLEUVAL
72   SERGLYASNTYRASPLEUALATYRGLNGLY
73   ASNASNLEUTHRILETHRLYSALALEULEU
74   ASNVALILEALAASPALALYSTHRLYSVAL
75   TYRGLYASPALAASPPROSERLEUTHRTYR
76   GLNVALSERGLYLEULYSASNGLYASPSER
77   ALAGLYSERILELEUTHRGLYGLYLEUASN
78   ARGALAALAGLYGLUASNVALGLYVALTYR
79   GLYILEASNGLNGLYASPLEUALALEUASN
80   SERGLYASNTYRASPLEUSERTYRGLNGLY
81   ASNASNLEUTHRILETHRLYSALALEULEU
82   ASNVALILEALAASPALALYSTHRLYSVAL
83   TYRGLYASPALAASPPROSERLEUTHRTYR
84   GLNVALSERGLYLEULYSASNGLYASPTHR
85   ALAGLYALAVALLEUASNGLYGLYGLYLEU
86   VALARGVALSERGLYGLUASNVALGLYASN
87   TYRALAILEGLNGLNGLYGLYLEUGLYLEU
88   VALSERGLYASNTYRASPLEUALATYRGLN
89   GLYASNASNLEUTHRILETHRLYSALALEU
90   LEUASNVALILEALAASPALALYSTHRLYS
91   VALTYRGLYASPALAASPPROSERLEUTHR
92   TYRGLNVALSERGLYLEULYSASNGLYASP
93   THRALAGLYALAVALLEUASNGLYGLYSER
94   LEUSERARGVALALAGLYGLUASNVALGLY
95   VALTYRGLYILEASNGLNGLYGLYLEUGLY
96   LEUVALSERGLYASNTYRASPLEUALATYR
97   GLNGLYASNASNLEUTHRILETHRLYSALA
98   LEULEUASNVALILEALAASPGLYLYSTHR
99   LYSVALTYRGLYASPALAASPPROSERLEU
100   THRTYRGLNVALSERGLYLEULYSASNGLY
101   ASPSERALAGLYSERILELEUTHRGLYGLY
102   LEUASNARGASPALAGLYGLUASNVALGLY
103   VALTYRGLYILEASNGLNGLYGLYLEUVAL
104   LEUTHRSERGLYASNTYRASPLEUALATYR
105   GLNGLYASNASPLEUTHRILETHRLYSALA
106   LEULEUASNVALPHEALAASPALALYSSER
107   LYSGLNVALGLYTHRALAASPPROALALEU
108   THRTYRGLNVALSERGLYLEULYSASNGLY
109   ASPSERALAGLYGLNVALLEUALAGLYGLY
110   LEUGLYARGVALGLYGLYGLUALAVALGLY
111   GLNTYRASPILELEUGLNGLYGLYLEUALA
112   LEUTHRSERGLYASNTYRGLNLEUASNTYR
113   GLNGLYASNLEULEUSERILELEU

Samples:

sample_1: CdrA, [U-100% 13C; U-100% 15N], 18 ± 1 mg

sample_conditions_1: ionic strength: 0.005 M; pH: 6.8; pressure: 1 atm; temperature: 263 K

Experiments:

NameSampleSample stateSample conditions
2D 13C-13C DARRsample_1isotropicsample_conditions_1
3D NCACXsample_1isotropicsample_conditions_1
3D NCOCXsample_1isotropicsample_conditions_1
CANcoCXsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

CcpNMR v3 - chemical shift assignment, peak picking

TALOS-N - chemical shift calculation

TOPSPIN - collection

MolProbity - model validation

NMR spectrometers:

  • Bruker US2 900 MHz

Related Database Links:

UNP Q9HVG6_PSEAE
AlphaFold Q9HVG6