4Q01

Second-site screening of K-Ras in the presence of covalently attached first-site ligands

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	K-Ras	polymer	169	19313.8	2	UniProt (P01116) Pfam (PF00071) In PDB	Homo sapiens
2	A, B	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	naphthalene-1-thiol	non-polymer		160.2	2	Chemie (2XH)
5		water	water		18.0	434	Chemie (HOH)

Sequence modifications

A, B: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Val 12	Gly 12	ENGINEERED MUTATION
Cys 39	Ser 39	ENGINEERED MUTATION
Ser 118	Cys 118	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38627.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1255.5
All*	Total formula weight	39883.2

*Water molecules are not included.