BMRB Entry 30735

Name: NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
Published: 2020-04-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30735

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc PubMed: 32227412

Deposition date: 2020-03-10 Original release date: 2020-04-27

Authors: Lee, K.; Fang, Z.; Enomoto, M.; Gasmi-Seabrook, G.; Zheng, L.; Marshall, C.; Ikura, M.

Citation: Lee, K.; Fang, Z.; Enomoto, M.; Seabrook, G.; Zheng, L.; Koide, S.; Ikura, M.; Marshall, C.. "Two Distinct Structures of Membrane-associated Homodimers of GTP- and GDP-bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement." Angew. Chem. Int. Ed. Engl. ., .-. (2020).

Assembly members:
entity_1, polymer, 200 residues, 23234.295 Da.
entity_2, polymer, 184 residues, 21042.959 Da.
entity_PCW, non-polymer, 787.121 Da.
entity_17F, non-polymer, 788.043 Da.
entity_GDP, non-polymer, 443.201 Da.
entity_MG, non-polymer, 24.305 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli K-12

Entity Sequences (FASTA):
entity_1: GPLKLLDNWDSVTSTFSKLR EQLGPVTQEFWDNLEKETEG LRQEMSKDLEEVKAKVQPYL DDFQKKWQEEMELYRQKVEP LRAELQEGARQKLHELQEKL SPLGEEMRDRARAHVDALRT HLAPYSDELRQRLAARLEAL KENGGARLAEYHAKATEHLS TLSEKAKPALEDLRQGLLPV LESFKVSFLSALEEYTKKLN
entity_2: TEYKLVVVGADGVGKSALTI QLIQNHFVDEYDPTIEDSYR KQVVIDGETCLLDILDTAGQ EEYSAMRDQYMRTGEGFLCV FAINNTKSFEDIHHYREQIK RVKDSEDVPMVLVGNKCDLP SRTVDTKQAQDLARSYGIPF IETSAKTRQGVDDAFYTLVR EIRKHKEKMSKDGKKKKKKS KTKC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	40
15N chemical shifts	15
1H chemical shifts	135

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1
3	entity_2, 1	2
4	entity_2, 2	2
5	entity_3, 1	3
6	entity_3, 2	3
7	entity_3, 3	3
8	entity_3, 4	3
9	entity_3, 5	3
10	entity_3, 6	3
11	entity_3, 7	3
12	entity_3, 8	3
13	entity_3, 9	3
14	entity_3, 10	3
15	entity_3, 11	3
16	entity_3, 12	3
17	entity_3, 13	3
18	entity_3, 14	3
19	entity_3, 15	3
20	entity_3, 16	3
21	entity_3, 17	3
22	entity_3, 18	3
23	entity_3, 19	3
24	entity_3, 20	3
25	entity_3, 21	3
26	entity_3, 22	3
27	entity_3, 23	3
28	entity_3, 24	3
29	entity_3, 25	3
30	entity_3, 26	3
31	entity_3, 27	3
32	entity_3, 28	3
33	entity_3, 29	3
34	entity_3, 30	3
35	entity_3, 31	3
36	entity_3, 32	3
37	entity_3, 33	3
38	entity_3, 34	3
39	entity_3, 35	3
40	entity_3, 36	3
41	entity_3, 37	3
42	entity_3, 38	3
43	entity_3, 39	3
44	entity_3, 40	3
45	entity_3, 41	3
46	entity_3, 42	3
47	entity_3, 43	3
48	entity_3, 44	3
49	entity_3, 45	3
50	entity_3, 46	3
51	entity_3, 47	3
52	entity_3, 48	3
53	entity_3, 49	3
54	entity_3, 50	3
55	entity_3, 51	3
56	entity_3, 52	3
57	entity_3, 53	3
58	entity_3, 54	3
59	entity_3, 55	3
60	entity_3, 56	3
61	entity_3, 57	3
62	entity_3, 58	3
63	entity_3, 59	3
64	entity_3, 60	3
65	entity_3, 61	3
66	entity_3, 62	3
67	entity_3, 63	3
68	entity_3, 64	3
69	entity_4, 1	4
70	entity_4, 2	4
71	entity_4, 3	4
72	entity_4, 4	4
73	entity_4, 5	4
74	entity_4, 6	4
75	entity_4, 7	4
76	entity_4, 8	4
77	entity_4, 9	4
78	entity_4, 10	4
79	entity_4, 11	4
80	entity_4, 12	4
81	entity_4, 13	4
82	entity_4, 14	4
83	entity_4, 15	4
84	entity_4, 16	4
85	entity_5, 1	5
86	entity_5, 2	5
87	entity_6, 1	6
88	entity_6, 2	6

Entities:

Entity 1, entity_1, 1 200 residues - 23234.295 Da.

1	GLY	PRO	LEU	LYS	LEU	LEU	ASP	ASN	TRP	ASP
2	SER	VAL	THR	SER	THR	PHE	SER	LYS	LEU	ARG
3	GLU	GLN	LEU	GLY	PRO	VAL	THR	GLN	GLU	PHE
4	TRP	ASP	ASN	LEU	GLU	LYS	GLU	THR	GLU	GLY
5	LEU	ARG	GLN	GLU	MET	SER	LYS	ASP	LEU	GLU
6	GLU	VAL	LYS	ALA	LYS	VAL	GLN	PRO	TYR	LEU
7	ASP	ASP	PHE	GLN	LYS	LYS	TRP	GLN	GLU	GLU
8	MET	GLU	LEU	TYR	ARG	GLN	LYS	VAL	GLU	PRO
9	LEU	ARG	ALA	GLU	LEU	GLN	GLU	GLY	ALA	ARG
10	GLN	LYS	LEU	HIS	GLU	LEU	GLN	GLU	LYS	LEU
11	SER	PRO	LEU	GLY	GLU	GLU	MET	ARG	ASP	ARG
12	ALA	ARG	ALA	HIS	VAL	ASP	ALA	LEU	ARG	THR
13	HIS	LEU	ALA	PRO	TYR	SER	ASP	GLU	LEU	ARG
14	GLN	ARG	LEU	ALA	ALA	ARG	LEU	GLU	ALA	LEU
15	LYS	GLU	ASN	GLY	GLY	ALA	ARG	LEU	ALA	GLU
16	TYR	HIS	ALA	LYS	ALA	THR	GLU	HIS	LEU	SER
17	THR	LEU	SER	GLU	LYS	ALA	LYS	PRO	ALA	LEU
18	GLU	ASP	LEU	ARG	GLN	GLY	LEU	LEU	PRO	VAL
19	LEU	GLU	SER	PHE	LYS	VAL	SER	PHE	LEU	SER
20	ALA	LEU	GLU	GLU	TYR	THR	LYS	LYS	LEU	ASN

Entity 2, entity_2, 1 184 residues - 21042.959 Da.

1

THR

GLU

TYR

LYS

LEU

VAL

GLY

ALA

2

ASP

GLY

VAL

GLY

LYS

SER

ALA

LEU

THR

ILE

3

GLN

LEU

ILE

GLN

ASN

HIS

PHE

VAL

ASP

GLU

4

TYR

ASP

PRO

THR

ILE

GLU

ASP

SER

TYR

ARG

5

LYS

GLN

VAL

ILE

ASP

GLY

GLU

THR

CYS

6

LEU

ASP

ILE

LEU

ASP

THR

ALA

GLY

GLN

7

GLU

TYR

SER

ALA

MET

ARG

ASP

GLN

TYR

8

MET

ARG

THR

GLY

GLU

GLY

PHE

LEU

CYS

VAL

9

PHE

ALA

ILE

ASN

THR

LYS

SER

PHE

GLU

10

ASP

ILE

HIS

TYR

ARG

GLU

GLN

ILE

LYS

11

ARG

VAL

LYS

ASP

SER

GLU

ASP

VAL

PRO

MET

12

VAL

LEU

VAL

GLY

ASN

LYS

CYS

ASP

LEU

PRO

13

SER

ARG

THR

VAL

ASP

THR

LYS

GLN

ALA

GLN

14

ASP

LEU

ALA

ARG

SER

TYR

GLY

ILE

PRO

PHE

15

ILE

GLU

THR

SER

ALA

LYS

THR

ARG

GLN

GLY

16

VAL

ASP

ALA

PHE

TYR

THR

LEU

VAL

ARG

17

GLU

ILE

ARG

LYS

HIS

LYS

GLU

LYS

MET

SER

18

LYS

ASP

GLY

LYS

SER

19

LYS

THR

LYS

CYS

Entity 3, entity_3, 1 - C44 H85 N O8 P - 787.121 Da.

1

PCW

Entity 4, entity_4, 1 - C42 H78 N O10 P - 788.043 Da.

1

17F

Entity 5, entity_5, 1 - C10 H15 N5 O11 P2 - 443.201 Da.

1

GDP

Entity 6, entity_6, 1 - Mg - 24.305 Da.

1

MG

Name	Sample	Sample state	Sample conditions
2D 1H-13C TROSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

Biological Magnetic Resonance Data Bank

BMRB Entry 30735

Title: NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc PubMed: 32227412

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	PRO	LEU	LYS	LEU	LEU	ASP	ASN	TRP	ASP
2	SER	VAL	THR	SER	THR	PHE	SER	LYS	LEU	ARG
3	GLU	GLN	LEU	GLY	PRO	VAL	THR	GLN	GLU	PHE
4	TRP	ASP	ASN	LEU	GLU	LYS	GLU	THR	GLU	GLY
5	LEU	ARG	GLN	GLU	MET	SER	LYS	ASP	LEU	GLU
6	GLU	VAL	LYS	ALA	LYS	VAL	GLN	PRO	TYR	LEU
7	ASP	ASP	PHE	GLN	LYS	LYS	TRP	GLN	GLU	GLU
8	MET	GLU	LEU	TYR	ARG	GLN	LYS	VAL	GLU	PRO
9	LEU	ARG	ALA	GLU	LEU	GLN	GLU	GLY	ALA	ARG
10	GLN	LYS	LEU	HIS	GLU	LEU	GLN	GLU	LYS	LEU
11	SER	PRO	LEU	GLY	GLU	GLU	MET	ARG	ASP	ARG
12	ALA	ARG	ALA	HIS	VAL	ASP	ALA	LEU	ARG	THR
13	HIS	LEU	ALA	PRO	TYR	SER	ASP	GLU	LEU	ARG
14	GLN	ARG	LEU	ALA	ALA	ARG	LEU	GLU	ALA	LEU
15	LYS	GLU	ASN	GLY	GLY	ALA	ARG	LEU	ALA	GLU
16	TYR	HIS	ALA	LYS	ALA	THR	GLU	HIS	LEU	SER
17	THR	LEU	SER	GLU	LYS	ALA	LYS	PRO	ALA	LEU
18	GLU	ASP	LEU	ARG	GLN	GLY	LEU	LEU	PRO	VAL
19	LEU	GLU	SER	PHE	LYS	VAL	SER	PHE	LEU	SER
20	ALA	LEU	GLU	GLU	TYR	THR	LYS	LYS	LEU	ASN

1	GLY	PRO	LEU	LYS	LEU	LEU	ASP	ASN	TRP	ASP
2	SER	VAL	THR	SER	THR	PHE	SER	LYS	LEU	ARG
3	GLU	GLN	LEU	GLY	PRO	VAL	THR	GLN	GLU	PHE
4	TRP	ASP	ASN	LEU	GLU	LYS	GLU	THR	GLU	GLY
5	LEU	ARG	GLN	GLU	MET	SER	LYS	ASP	LEU	GLU
6	GLU	VAL	LYS	ALA	LYS	VAL	GLN	PRO	TYR	LEU
7	ASP	ASP	PHE	GLN	LYS	LYS	TRP	GLN	GLU	GLU
8	MET	GLU	LEU	TYR	ARG	GLN	LYS	VAL	GLU	PRO
9	LEU	ARG	ALA	GLU	LEU	GLN	GLU	GLY	ALA	ARG
10	GLN	LYS	LEU	HIS	GLU	LEU	GLN	GLU	LYS	LEU
11	SER	PRO	LEU	GLY	GLU	GLU	MET	ARG	ASP	ARG
12	ALA	ARG	ALA	HIS	VAL	ASP	ALA	LEU	ARG	THR
13	HIS	LEU	ALA	PRO	TYR	SER	ASP	GLU	LEU	ARG
14	GLN	ARG	LEU	ALA	ALA	ARG	LEU	GLU	ALA	LEU
15	LYS	GLU	ASN	GLY	GLY	ALA	ARG	LEU	ALA	GLU
16	TYR	HIS	ALA	LYS	ALA	THR	GLU	HIS	LEU	SER
17	THR	LEU	SER	GLU	LYS	ALA	LYS	PRO	ALA	LEU
18	GLU	ASP	LEU	ARG	GLN	GLY	LEU	LEU	PRO	VAL
19	LEU	GLU	SER	PHE	LYS	VAL	SER	PHE	LEU	SER
20	ALA	LEU	GLU	GLU	TYR	THR	LYS	LYS	LEU	ASN

1	GLY	PRO	LEU	LYS	LEU	LEU	ASP	ASN	TRP	ASP
2	SER	VAL	THR	SER	THR	PHE	SER	LYS	LEU	ARG
3	GLU	GLN	LEU	GLY	PRO	VAL	THR	GLN	GLU	PHE
4	TRP	ASP	ASN	LEU	GLU	LYS	GLU	THR	GLU	GLY
5	LEU	ARG	GLN	GLU	MET	SER	LYS	ASP	LEU	GLU
6	GLU	VAL	LYS	ALA	LYS	VAL	GLN	PRO	TYR	LEU
7	ASP	ASP	PHE	GLN	LYS	LYS	TRP	GLN	GLU	GLU
8	MET	GLU	LEU	TYR	ARG	GLN	LYS	VAL	GLU	PRO
9	LEU	ARG	ALA	GLU	LEU	GLN	GLU	GLY	ALA	ARG
10	GLN	LYS	LEU	HIS	GLU	LEU	GLN	GLU	LYS	LEU
11	SER	PRO	LEU	GLY	GLU	GLU	MET	ARG	ASP	ARG
12	ALA	ARG	ALA	HIS	VAL	ASP	ALA	LEU	ARG	THR
13	HIS	LEU	ALA	PRO	TYR	SER	ASP	GLU	LEU	ARG
14	GLN	ARG	LEU	ALA	ALA	ARG	LEU	GLU	ALA	LEU
15	LYS	GLU	ASN	GLY	GLY	ALA	ARG	LEU	ALA	GLU
16	TYR	HIS	ALA	LYS	ALA	THR	GLU	HIS	LEU	SER
17	THR	LEU	SER	GLU	LYS	ALA	LYS	PRO	ALA	LEU
18	GLU	ASP	LEU	ARG	GLN	GLY	LEU	LEU	PRO	VAL
19	LEU	GLU	SER	PHE	LYS	VAL	SER	PHE	LEU	SER
20	ALA	LEU	GLU	GLU	TYR	THR	LYS	LYS	LEU	ASN