BMRB Entry 30640

Name: NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)
Published: 2020-05-08

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PDB ID: 6ptw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30640
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)

Deposition date:

2019-07-16

Original release date:

2020-05-08

Authors:

Fang, Z.; Lee, K.; Gasmi-Seabrook, G.; Ikura, M.; Marshall, C.

Citation:

Citation: Fang, Zhenhao; Lee, Ki-Young; Huo, Ku-Geng; Gasmi-Seabrook, Genevieve; Zheng, Le; Moghal, Nadeem; Tsao, Ming-Sound; Ikura, Mitsuhiko; Marshall, Christopher. "Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane" Proc. Natl. Acad. Sci. U. S. A. 117, 12101-12108 (2020).
PubMed: 32414921

Assembly members:

Assembly members:
entity_1, polymer, 198 residues, 23080.129 Da.
entity_2, polymer, 185 residues, 21116.119 Da.
entity_3, polymer, 132 residues, 15266.923 Da.
entity_PCW, non-polymer, 787.121 Da.
entity_17F, non-polymer, 788.043 Da.
entity_GNP, non-polymer, 522.196 Da.
entity_MG, non-polymer, 24.305 Da.
entity_ZN, non-polymer, 65.409 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: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LKLLDNWDSVTSTFSKLREQ LGPVTQEFWDNLEKETEGLR QEMSKDLEEVKAKVQPYLDD FQKKWQEEMELYRQKVEPLR AELQEGARQKLHELQEKLSP LGEEMRDRARAHVDALRTHL APYSDELRQRLAARLEALKE NGGARLAEYHAKATEHLSTL SEKAKPALEDLRQGLLPVLE SFKVSFLSALEEYTKKLN
entity_2: MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEKMSKDGKKKKKK SKTKC
entity_3: NTIRVFLPNKQRTVVNVRNG MSLHDCLMKALKVRGLQPEC CAVFRLLQEHKGKKARLDWN TDAASLIGEELQVDFLDHVP LTTHNFARKTFLKLAFCDIC QKFLLNGFRCQTCGYKFHEH CSTKVPTMCVDW

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	41
15N chemical shifts	198
1H chemical shifts	318

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_3, 1	3
5	entity_4, 1	4
6	entity_4, 2	4
7	entity_4, 3	4
8	entity_4, 4	4
9	entity_4, 5	4
10	entity_4, 6	4
11	entity_4, 7	4
12	entity_4, 8	4
13	entity_4, 9	4
14	entity_4, 10	4
15	entity_4, 11	4
16	entity_4, 12	4
17	entity_4, 13	4
18	entity_4, 14	4
19	entity_4, 15	4
20	entity_4, 16	4
21	entity_4, 17	4
22	entity_4, 18	4
23	entity_4, 19	4
24	entity_4, 20	4
25	entity_4, 21	4
26	entity_4, 22	4
27	entity_4, 23	4
28	entity_4, 24	4
29	entity_4, 25	4
30	entity_4, 26	4
31	entity_4, 27	4
32	entity_4, 28	4
33	entity_4, 29	4
34	entity_4, 30	4
35	entity_4, 31	4
36	entity_4, 32	4
37	entity_4, 33	4
38	entity_4, 34	4
39	entity_4, 35	4
40	entity_4, 36	4
41	entity_4, 37	4
42	entity_4, 38	4
43	entity_4, 39	4
44	entity_4, 40	4
45	entity_4, 41	4
46	entity_4, 42	4
47	entity_4, 43	4
48	entity_4, 44	4
49	entity_4, 45	4
50	entity_4, 46	4
51	entity_4, 47	4
52	entity_4, 48	4
53	entity_4, 49	4
54	entity_4, 50	4
55	entity_4, 51	4
56	entity_4, 52	4
57	entity_4, 53	4
58	entity_4, 54	4
59	entity_4, 55	4
60	entity_4, 56	4
61	entity_4, 57	4
62	entity_4, 58	4
63	entity_4, 59	4
64	entity_4, 60	4
65	entity_4, 61	4
66	entity_4, 62	4
67	entity_4, 63	4
68	entity_4, 64	4
69	entity_5, 1	5
70	entity_5, 2	5
71	entity_5, 3	5
72	entity_5, 4	5
73	entity_5, 5	5
74	entity_5, 6	5
75	entity_5, 7	5
76	entity_5, 8	5
77	entity_5, 9	5
78	entity_5, 10	5
79	entity_5, 11	5
80	entity_5, 12	5
81	entity_5, 13	5
82	entity_5, 14	5
83	entity_5, 15	5
84	entity_6, 1	6
85	entity_7, 1	7
86	entity_8, 1	8
87	entity_8, 2	8

Entities:

Entity 1, entity_1, 1 198 residues - 23080.129 Da.

1

LEU

LYS

LEU

ASP

ASN

TRP

ASP

SER

VAL

2

THR

SER

THR

PHE

SER

LYS

LEU

ARG

GLU

GLN

3

LEU

GLY

PRO

VAL

THR

GLN

GLU

PHE

TRP

ASP

4

ASN

LEU

GLU

LYS

GLU

THR

GLU

GLY

LEU

ARG

5

GLN

GLU

MET

SER

LYS

ASP

LEU

GLU

VAL

6

LYS

ALA

LYS

VAL

GLN

PRO

TYR

LEU

ASP

7

PHE

GLN

LYS

TRP

GLN

GLU

MET

GLU

8

LEU

TYR

ARG

GLN

LYS

VAL

GLU

PRO

LEU

ARG

9

ALA

GLU

LEU

GLN

GLU

GLY

ALA

ARG

GLN

LYS

10

LEU

HIS

GLU

LEU

GLN

GLU

LYS

LEU

SER

PRO

11

LEU

GLY

GLU

MET

ARG

ASP

ARG

ALA

ARG

12

ALA

HIS

VAL

ASP

ALA

LEU

ARG

THR

HIS

LEU

13

ALA

PRO

TYR

SER

ASP

GLU

LEU

ARG

GLN

ARG

14

LEU

ALA

ARG

LEU

GLU

ALA

LEU

LYS

GLU

15

ASN

GLY

ALA

ARG

LEU

ALA

GLU

TYR

HIS

16

ALA

LYS

ALA

THR

GLU

HIS

LEU

SER

THR

LEU

17

SER

GLU

LYS

ALA

LYS

PRO

ALA

LEU

GLU

ASP

18

LEU

ARG

GLN

GLY

LEU

PRO

VAL

LEU

GLU

19

SER

PHE

LYS

VAL

SER

PHE

LEU

SER

ALA

LEU

20

GLU

TYR

THR

LYS

LEU

ASN

Entity 2, entity_2, 1 185 residues - 21116.119 Da.

1

MET

THR

GLU

TYR

LYS

LEU

VAL

GLY

2

ALA

GLY

VAL

GLY

LYS

SER

ALA

LEU

THR

3

ILE

GLN

LEU

ILE

GLN

ASN

HIS

PHE

VAL

ASP

4

GLU

TYR

ASP

PRO

THR

ILE

GLU

ASP

SER

TYR

5

ARG

LYS

GLN

VAL

ILE

ASP

GLY

GLU

THR

6

CYS

LEU

ASP

ILE

LEU

ASP

THR

ALA

GLY

7

GLN

GLU

TYR

SER

ALA

MET

ARG

ASP

GLN

8

TYR

MET

ARG

THR

GLY

GLU

GLY

PHE

LEU

CYS

9

VAL

PHE

ALA

ILE

ASN

THR

LYS

SER

PHE

10

GLU

ASP

ILE

HIS

TYR

ARG

GLU

GLN

ILE

11

LYS

ARG

VAL

LYS

ASP

SER

GLU

ASP

VAL

PRO

12

MET

VAL

LEU

VAL

GLY

ASN

LYS

CYS

ASP

LEU

13

PRO

SER

ARG

THR

VAL

ASP

THR

LYS

GLN

ALA

14

GLN

ASP

LEU

ALA

ARG

SER

TYR

GLY

ILE

PRO

15

PHE

ILE

GLU

THR

SER

ALA

LYS

THR

ARG

GLN

16

GLY

VAL

ASP

ALA

PHE

TYR

THR

LEU

VAL

17

ARG

GLU

ILE

ARG

LYS

HIS

LYS

GLU

LYS

MET

18

SER

LYS

ASP

GLY

LYS

19

SER

LYS

THR

LYS

CYS

Entity 3, entity_3, 1 132 residues - 15266.923 Da.

1

ASN

THR

ILE

ARG

VAL

PHE

LEU

PRO

ASN

LYS

2

GLN

ARG

THR

VAL

ASN

VAL

ARG

ASN

GLY

3

MET

SER

LEU

HIS

ASP

CYS

LEU

MET

LYS

ALA

4

LEU

LYS

VAL

ARG

GLY

LEU

GLN

PRO

GLU

CYS

5

CYS

ALA

VAL

PHE

ARG

LEU

GLN

GLU

HIS

6

LYS

GLY

LYS

ALA

ARG

LEU

ASP

TRP

ASN

7

THR

ASP

ALA

SER

LEU

ILE

GLY

GLU

8

LEU

GLN

VAL

ASP

PHE

LEU

ASP

HIS

VAL

PRO

9

LEU

THR

HIS

ASN

PHE

ALA

ARG

LYS

THR

10

PHE

LEU

LYS

LEU

ALA

PHE

CYS

ASP

ILE

CYS

11

GLN

LYS

PHE

LEU

ASN

GLY

PHE

ARG

CYS

12

GLN

THR

CYS

GLY

TYR

LYS

PHE

HIS

GLU

HIS

13

CYS

SER

THR

LYS

VAL

PRO

THR

MET

CYS

VAL

14

ASP

TRP

Entity 4, entity_4, 1 - C44 H85 N O8 P - 787.121 Da.

1

PCW

Entity 5, entity_5, 1 - C42 H78 N O10 P - 788.043 Da.

1

17F

Entity 6, entity_6, 1 - C10 H17 N6 O13 P3 - 522.196 Da.

1

GNP

Entity 7, entity_7, 1 - Mg - 24.305 Da.

1

MG

Entity 8, entity_8, 1 - Zn - 65.409 Da.

1

ZN

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HMQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_3	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_4	isotropic	sample_conditions_1
2D 1H-13C HMQC	sample_3	isotropic	sample_conditions_1
2D 1H-13C HMQC	sample_4	isotropic	sample_conditions_1
3D edited NOESY	sample_5	isotropic	sample_conditions_2
3D HNCO	sample_6	isotropic	sample_conditions_1
3D HNCACO	sample_6	isotropic	sample_conditions_1
3D HNCACB	sample_6	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_6	isotropic	sample_conditions_1
3D HNCA	sample_6	isotropic	sample_conditions_1
3D HN(CO)CA	sample_6	isotropic	sample_conditions_1
3D HNCO	sample_7	isotropic	sample_conditions_1
3D HNCACO	sample_7	isotropic	sample_conditions_1
3D HNCACB	sample_7	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_7	isotropic	sample_conditions_1
3D HNCA	sample_7	isotropic	sample_conditions_1
3D HN(CO)CA	sample_7	isotropic	sample_conditions_1

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

BMRB Entry 30640

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: