BMRB: 4700

Structure of Cdc42 bound to the GTPase Binding Domain of PAK

Authors

Morreale, A., Venkatesan, M., Mott, H.R., Owen, D., Nietlispach, D., Lowe, P.N., Laue, E.D.

Assembly

Cdc42 + fragment of PAK

Entity

1. Cdc42 (polymer, Thiol state: all free), 185 monomers, 20919.51 Da Detail

MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP YTLGLFDTAG LEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK AVKYVECSAL TQKGLKNVFD EAILAALEPP EPKKX

2. p21 activated kinase (polymer, Thiol state: not present), 46 monomers, 5091.575 Da Detail

GSISLPSDFE HTIHVGFDAV TGEFTGMPEQ WARLLQTSNI TKSEQK

Total weight

26011.086 Da

Max. entity weight

20919.51 Da

Source organism

Homo sapiens , Rattus norvegicus

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 81.4 %, Completeness: 68.5 %, Completeness (bb): 67.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	68.5 % (1839 of 2686)	73.5 % (1022 of 1390)	60.1 % (641 of 1067)	76.9 % (176 of 229)
Backbone	67.0 % (902 of 1346)	77.2 % (352 of 456)	56.9 % (385 of 677)	77.5 % (165 of 213)
Sidechain	70.4 % (1096 of 1557)	71.7 % (670 of 934)	68.4 % (415 of 607)	68.8 % (11 of 16)
Aromatic	55.8 % (115 of 206)	64.1 % (66 of 103)	47.5 % (48 of 101)	50.0 % (1 of 2)
Methyl	80.8 % (223 of 276)	80.4 % (111 of 138)	81.2 % (112 of 138)

1. Cdc42

MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP YTLGLFDTAG LEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK AVKYVECSAL TQKGLKNVFD EAILAALEPP EPKKX

2. p21 activated kinase

GSISLPSDFE HTIHVGFDAV TGEFTGMPEQ WARLLQTSNI TKSEQK

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Cdc42	[U-13C; U-15N]		0.7 ~ 1.0 mM
2	p21 activated kinase	[U-13C; U-15N]		0.7 ~ 1.0 mM

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Chem. Shift Complete2

Sequence coverage: 53.7 %, Completeness: 53.6 %, Completeness (bb): 56.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	53.6 % (2882 of 5372)	55.1 % (1533 of 2780)	49.3 % (1053 of 2134)	64.6 % (296 of 458)
Backbone	56.5 % (1521 of 2692)	61.1 % (557 of 912)	50.7 % (686 of 1354)	65.3 % (278 of 426)
Sidechain	52.4 % (1632 of 3114)	52.2 % (976 of 1868)	52.6 % (638 of 1214)	56.3 % (18 of 32)
Aromatic	41.3 % (170 of 412)	46.6 % (96 of 206)	35.6 % (72 of 202)	50.0 % (2 of 4)
Methyl	56.5 % (312 of 552)	56.5 % (156 of 276)	56.5 % (156 of 276)

1. Cdc42

MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP YTLGLFDTAG LEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK AVKYVECSAL TQKGLKNVFD EAILAALEPP EPKKX

2. p21 activated kinase

GSISLPSDFE HTIHVGFDAV TGEFTGMPEQ WARLLQTSNI TKSEQK

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Cdc42	[U-13C; U-15N]		0.7 ~ 1.0 mM
2	p21 activated kinase	[U-13C; U-15N]		0.7 ~ 1.0 mM

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LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 20 models in PDB: 1CF4, Strand ID: A Detail

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Release date

2000-12-17

Citation

Structure of Cdc42 bound to the GTPase binding domain of PAK
Morreale, A., Venkatesan, M., Mott, H.R., Owen, D., Nietlispach, D., Lowe, P.N., Laue, E.D.
Nat. Struct. Biol. (2000), 7, 384-388, PubMed 10802735 , DOI 10.1038/75158 , Abstract

Related entities 1. Cdc42, : 3 : 98 entities Detail

Related entities 2. p21 activated kinase, : 1 : 17 : 76 entities Detail

Interaction partners 2. p21 activated kinase, : 6 interactors Detail

Experiments performed 9 experiments Detail