8SML

hPAD4 bound to inhibitory Fab hI365

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Protein-arginine deiminase type-4	polymer	695	77903.0	2	UniProt (Q9UM07) Pfam (PF08526) Pfam (PF08527) Pfam (PF03068)	Homo sapiens (human)	HL-60 PAD,Peptidylarginine deiminase IV,Protein-arginine deiminase type IV
2	B, E (B, E)	Fab hI365 light chain	polymer	214	23157.7	2		Homo sapiens (human)
3	C, F (C, F)	Fab hI365 heavy chain	polymer	231	24615.5	2		Homo sapiens (human)
4	G, H, I, J, K... (A, D)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)

Sequence modifications

A, D: 2 - 663 (UniProt: Q9UM07)

PDB	External Database	Details
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Ala -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Gly -22	-	expression tag
Leu -21	-	expression tag
Asn -20	-	expression tag
Asp -19	-	expression tag
Ile -18	-	expression tag
Phe -17	-	expression tag
Glu -16	-	expression tag
Ala -15	-	expression tag
Gln -14	-	expression tag
Lys -13	-	expression tag
Ile -12	-	expression tag
Glu -11	-	expression tag
Trp -10	-	expression tag
His -9	-	expression tag
Glu -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Thr 0	-	expression tag
Ser 1	-	expression tag
Ala 82	Val 82	variant

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	251352.2
Non-Polymers*	Number of molecules	6
	Total formula weight	240.5
All*	Total formula weight	251592.7

*Water molecules are not included.