BMRB Entry 17178

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17178

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Title:
NMR relaxation studies of GdDTPA in human serum albumin solution
Deposition date:
2010-09-10
Original release date:
2012-06-06
Authors:
Li, Xinyu; Li, Xiaojing; Zhang, Shanrong; Pei, Fengkui
Citation:

Citation: Li, Xinyu; Li, Xiaojing; Zhang, Shanrong; Pei, Fengkui. "NMR relaxation studies of GdDTPA in human serum albumin solution"  POLYHEDRON 18, 695-697 (1999).

Assembly members:

Assembly members:
HSA, polymer, 609 residues, Formula weight is not available
DTPA, non-polymer, 393.35 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: obtained from a vendor

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HSA: MKWVTFISLLFLFSSAYSRG VFRRDAHKSEVAHRFKDLGE ENFKALVLIAFAQYLQQCPF EDHVKLVNEVTEFAKTCVAD ESAENCDKSLHTLFGDKLCT VATLRETYGEMADCCAKQEP ERNECFLQHKDDNPNLPRLV RPEVDVMCTAFHDNEETFLK KYLYEIARRHPYFYAPELLF FAKRYKAAFTECCQAADKAA CLLPKLDELRDEGKASSAKQ RLKCASLQKFGERAFKAWAV ARLSQRFPKAEFAEVSKLVT DLTKVHTECCHGDLLECADD RADLAKYICENQDSISSKLK ECCEKPLLEKSHCIAEVEND EMPADLPSLAADFVESKDVC KNYAEAKDVFLGMFLYEYAR RHPDYSVVLLLRLAKTYETT LEKCCAAADPHECYAKVFDE FKPLVEEPQNLIKQNCELFE QLGEYKFQNALLVRYTKKVP QVSTPTLVEVSRNLGKVGSK CCKHPEAKRMPCAEDYLSVV LNQLCVLHEKTPVSDRVTKC CTESLVNRRPCFSALEVDET YVPKEFNAETFTFHADICTL SEKERQIKKQTALVELVKHK PKATKEQLKAVMDDFAAFVE KCCKADDKETCFAEEGKKLV AASQAALGL

Data sets:
  • binding constants
Data typeCount
binding constants3

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HSA1
2DTPA2

Entities:

Entity 1, HSA 609 residues - Formula weight is not available

1   METLYSTRPVALTHRPHEILESERLEULEU
2   PHELEUPHESERSERALATYRSERARGGLY
3   VALPHEARGARGASPALAHISLYSSERGLU
4   VALALAHISARGPHELYSASPLEUGLYGLU
5   GLUASNPHELYSALALEUVALLEUILEALA
6   PHEALAGLNTYRLEUGLNGLNCYSPROPHE
7   GLUASPHISVALLYSLEUVALASNGLUVAL
8   THRGLUPHEALALYSTHRCYSVALALAASP
9   GLUSERALAGLUASNCYSASPLYSSERLEU
10   HISTHRLEUPHEGLYASPLYSLEUCYSTHR
11   VALALATHRLEUARGGLUTHRTYRGLYGLU
12   METALAASPCYSCYSALALYSGLNGLUPRO
13   GLUARGASNGLUCYSPHELEUGLNHISLYS
14   ASPASPASNPROASNLEUPROARGLEUVAL
15   ARGPROGLUVALASPVALMETCYSTHRALA
16   PHEHISASPASNGLUGLUTHRPHELEULYS
17   LYSTYRLEUTYRGLUILEALAARGARGHIS
18   PROTYRPHETYRALAPROGLULEULEUPHE
19   PHEALALYSARGTYRLYSALAALAPHETHR
20   GLUCYSCYSGLNALAALAASPLYSALAALA
21   CYSLEULEUPROLYSLEUASPGLULEUARG
22   ASPGLUGLYLYSALASERSERALALYSGLN
23   ARGLEULYSCYSALASERLEUGLNLYSPHE
24   GLYGLUARGALAPHELYSALATRPALAVAL
25   ALAARGLEUSERGLNARGPHEPROLYSALA
26   GLUPHEALAGLUVALSERLYSLEUVALTHR
27   ASPLEUTHRLYSVALHISTHRGLUCYSCYS
28   HISGLYASPLEULEUGLUCYSALAASPASP
29   ARGALAASPLEUALALYSTYRILECYSGLU
30   ASNGLNASPSERILESERSERLYSLEULYS
31   GLUCYSCYSGLULYSPROLEULEUGLULYS
32   SERHISCYSILEALAGLUVALGLUASNASP
33   GLUMETPROALAASPLEUPROSERLEUALA
34   ALAASPPHEVALGLUSERLYSASPVALCYS
35   LYSASNTYRALAGLUALALYSASPVALPHE
36   LEUGLYMETPHELEUTYRGLUTYRALAARG
37   ARGHISPROASPTYRSERVALVALLEULEU
38   LEUARGLEUALALYSTHRTYRGLUTHRTHR
39   LEUGLULYSCYSCYSALAALAALAASPPRO
40   HISGLUCYSTYRALALYSVALPHEASPGLU
41   PHELYSPROLEUVALGLUGLUPROGLNASN
42   LEUILELYSGLNASNCYSGLULEUPHEGLU
43   GLNLEUGLYGLUTYRLYSPHEGLNASNALA
44   LEULEUVALARGTYRTHRLYSLYSVALPRO
45   GLNVALSERTHRPROTHRLEUVALGLUVAL
46   SERARGASNLEUGLYLYSVALGLYSERLYS
47   CYSCYSLYSHISPROGLUALALYSARGMET
48   PROCYSALAGLUASPTYRLEUSERVALVAL
49   LEUASNGLNLEUCYSVALLEUHISGLULYS
50   THRPROVALSERASPARGVALTHRLYSCYS
51   CYSTHRGLUSERLEUVALASNARGARGPRO
52   CYSPHESERALALEUGLUVALASPGLUTHR
53   TYRVALPROLYSGLUPHEASNALAGLUTHR
54   PHETHRPHEHISALAASPILECYSTHRLEU
55   SERGLULYSGLUARGGLNILELYSLYSGLN
56   THRALALEUVALGLULEUVALLYSHISLYS
57   PROLYSALATHRLYSGLUGLNLEULYSALA
58   VALMETASPASPPHEALAALAPHEVALGLU
59   LYSCYSCYSLYSALAASPASPLYSGLUTHR
60   CYSPHEALAGLUGLUGLYLYSLYSLEUVAL
61   ALAALASERGLNALAALALEUGLYLEU

Entity 2, DTPA - C14H23N3O10 - 393.35 Da.

1   DTPA

Samples:

sample_1: HSA 0.726 mM; DTPA0 – 5 mM; H2O 100%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
NMR Relaxationsample_1isotropicsample_conditions_1

Software:

software -

NMR spectrometers:

  • Varian Unity 400 MHz

Related Database Links:

BMRB 16751 17180
PDB
DBJ BAF85444 BAG37325 BAG60658
EMBL CAA23753 CAA23754 CAH18185 CAI29688
GB AAA98797 AAA98798 AAF01333 AAF69594 AAH34023
REF NP_000468 NP_001127106 XP_003265777 XP_003832390 XP_004038851
SP P02768 Q5NVH5
AlphaFold P02768 Q5NVH5