BMRB Entry 4700
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4700
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Title: Structure of Cdc42 bound to the GTPase Binding Domain of PAK
Deposition date: 2000-03-23 Original release date: 2000-12-18
Authors: Morreale, Angela; Venkatesan, Meenakshi; Mott, Helen; Owen, Darerca; Nietlispach, Daniel; Lowe, Peter; Laue, Ernest
Citation: Morreale, Angela; Venkatesan, Meenakshi; Mott, Helen; Owen, Darerca; Nietlispach, Daniel; Lowe, Peter; Laue, Ernest. "Structure of Cdc42 bound to the GTPase Binding Domain of PAK" Nat. Struct. Biol. 7, 384-388 (2000).
Assembly members:
Cdc42, polymer, 185 residues, 20430.40 Da.
p21 activated kinase, polymer, 46 residues, 5127.64 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Cdc42: MQTIKCVVVGDGAVGKTCLL
ISYTTNKFPSEYVPTVFDNY
AVTVMIGGEPYTLGLFDTAG
LEDYDRLRPLSYPQTDVFLV
CFSVVSPSSFENVKEKWVPE
ITHHCPKTPFLLVGTQIDLR
DDPSTIEKLAKNKQKPITPE
TAEKLARDLKAVKYVECSAL
TQKGLKNVFDEAILAALEPP
EPKKX
p21 activated kinase: GSISLPSDFEHTIHVGFDAV
TGEFTGMPEQWARLLQTSNI
TKSEQK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 741 |
| 1H chemical shifts | 1550 |
| 15N chemical shifts | 224 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cdc42 | 1 |
| 2 | PAK | 2 |
Entities:
Entity 1, Cdc42 185 residues - 20430.40 Da.
| 1 | MET | GLN | THR | ILE | LYS | CYS | VAL | VAL | VAL | GLY | ||||
| 2 | ASP | GLY | ALA | VAL | GLY | LYS | THR | CYS | LEU | LEU | ||||
| 3 | ILE | SER | TYR | THR | THR | ASN | LYS | PHE | PRO | SER | ||||
| 4 | GLU | TYR | VAL | PRO | THR | VAL | PHE | ASP | ASN | TYR | ||||
| 5 | ALA | VAL | THR | VAL | MET | ILE | GLY | GLY | GLU | PRO | ||||
| 6 | TYR | THR | LEU | GLY | LEU | PHE | ASP | THR | ALA | GLY | ||||
| 7 | LEU | GLU | ASP | TYR | ASP | ARG | LEU | ARG | PRO | LEU | ||||
| 8 | SER | TYR | PRO | GLN | THR | ASP | VAL | PHE | LEU | VAL | ||||
| 9 | CYS | PHE | SER | VAL | VAL | SER | PRO | SER | SER | PHE | ||||
| 10 | GLU | ASN | VAL | LYS | GLU | LYS | TRP | VAL | PRO | GLU | ||||
| 11 | ILE | THR | HIS | HIS | CYS | PRO | LYS | THR | PRO | PHE | ||||
| 12 | LEU | LEU | VAL | GLY | THR | GLN | ILE | ASP | LEU | ARG | ||||
| 13 | ASP | ASP | PRO | SER | THR | ILE | GLU | LYS | LEU | ALA | ||||
| 14 | LYS | ASN | LYS | GLN | LYS | PRO | ILE | THR | PRO | GLU | ||||
| 15 | THR | ALA | GLU | LYS | LEU | ALA | ARG | ASP | LEU | LYS | ||||
| 16 | ALA | VAL | LYS | TYR | VAL | GLU | CYS | SER | ALA | LEU | ||||
| 17 | THR | GLN | LYS | GLY | LEU | LYS | ASN | VAL | PHE | ASP | ||||
| 18 | GLU | ALA | ILE | LEU | ALA | ALA | LEU | GLU | PRO | PRO | ||||
| 19 | GLU | PRO | LYS | LYS | GNP |
Entity 2, PAK 46 residues - 5127.64 Da.
| 1 | GLY | SER | ILE | SER | LEU | PRO | SER | ASP | PHE | GLU | ||||
| 2 | HIS | THR | ILE | HIS | VAL | GLY | PHE | ASP | ALA | VAL | ||||
| 3 | THR | GLY | GLU | PHE | THR | GLY | MET | PRO | GLU | GLN | ||||
| 4 | TRP | ALA | ARG | LEU | LEU | GLN | THR | SER | ASN | ILE | ||||
| 5 | THR | LYS | SER | GLU | GLN | LYS |
Samples:
sample_1: Cdc42, [U-13C; U-15N], 0.7 – 1.0 mM; p21 activated kinase, [U-13C; U-15N], 0.7 – 1.0 mM
Ex-cond_1: pH: 5.5; temperature: 298 K; ionic strength: 55 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N-edited NOESy | sample_1 | not available | Ex-cond_1 |
| 13C-edited NOEsy | sample_1 | not available | Ex-cond_1 |
| HCCH-COSY | sample_1 | not available | Ex-cond_1 |
| HCCH-TOCSY | sample_1 | not available | Ex-cond_1 |
| HNCA | sample_1 | not available | Ex-cond_1 |
| HN(CO)CA | sample_1 | not available | Ex-cond_1 |
| CBCA(CO)NH | sample_1 | not available | Ex-cond_1 |
| HBHA(CBCACO)NH | sample_1 | not available | Ex-cond_1 |
| 13C/15N-Xfiltered NOESY | sample_1 | not available | Ex-cond_1 |
Software:
AZARA v3.3 - DATA PROCESSING
ANSIG - ASSIGNMENT
NMR spectrometers:
- Bruker AMX 600 MHz
- Bruker DRX 600 MHz
- Bruker DRX 500 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 15424 |
| PDB | |
| DBJ | BAB22563 BAC16312 BAC34669 BAC35825 BAE01909 BAC16311.1 BAC16312.1 BAF85787.1 |
| EMBL | CAA90215 CAB57325 CAB57326 CAB57327 CAB57328 CAF91245.1 CAN87991.1 CAN87992.1 CAF94511.1 |
| GB | AAA37410 AAA52494 AAA52592 AAB40051 AAC00027 |
| REF | NP_001003254 NP_001008027 NP_001017070 NP_001018130 NP_001034891 XP_001363384.1 XP_001363301.1 NP_035165.2 NP_001070366.1 XP_508657.2 |
| SP | P60766 P60952 P60953 Q007T2 Q2KJ93 |
| TPG | DAA32122 |
| SWISS-PROT | Q13153 O88643 Q08E52 P35465 |
| PRF | 2003404A |
| GenBank | ACA13260.1 ACA13261.1 EAW75028.1 EDL16325.1 EDM18463.1 |
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