6WS0

Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	HHH	DNA repair protein REV1	polymer	95	11011.7	1	UniProt (Q9UBZ9) Pfam (PF16727) In PDB	Homo sapiens (Human)	Alpha integrin-binding protein 80,AIBP80,Rev1-like terminal deoxycytidyl transferase
2	CCC	Mitotic spindle assembly checkpoint protein MAD2B	polymer	227	26101.2	1	UniProt (Q9UI95) Pfam (PF02301) In PDB	Homo sapiens (Human)	Mitotic arrest deficient 2-like protein 2,MAD2-like protein 2,REV7 homolog,hREV7
3	ZZZ	DNA polymerase zeta catalytic subunit	polymer	52	5632.3	1	UniProt (O60673) In PDB	Homo sapiens (Human)	Protein reversionless 3-like,hREV3
4		water	water		18.0	11	Chemie (HOH)

Sequence modifications

HHH: 1158 - 1251 (UniProt: Q9UBZ9)

PDB	External Database	Details
Gly 1157	-	expression tag

CCC: 1 - 211 (UniProt: Q9UI95)

PDB	External Database	Details
Met -15	-	expression tag
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Gln -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Ala 124	Arg 124	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	42745.2
All*	Total formula weight	42745.2

*Water molecules are not included.