3QZ1

crystal structure of bovine steroid of 21-hydroxylase (p450c21)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 44
  • Norm. En. per Res.: -2.0513
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-5.1857	11.6532	-64.1032	-57.6357	66	9	2	3674	3	45	46
A-D	-8.686	-21.7516	-59.8207	-90.2583	44	5	0	3263	3	18	23
B-C	-9.5387	10.2528	-66.6465	-65.9325	39	8	0	3098	3	20	25
C-D	0.0	2.5931	-26.8383	-24.2452	50	0	0	1915	0	34	31

Interface residues

• A-B: ALA188A, ALA188B, ALA228A, ALA228B, ARG150A, ARG224A, ARG224B, ARG241B, ARG242A, ARG242B, ASN180A, ASN180B, ASN219A, ASN219B, ASN231A, ASN231B, ASP183A, ASP183B, ASP191A, ASP191B, ASP195A, ASP195B, GLN154A, GLN162A, GLN162B, GLN227A, GLN227B, GLN239A, GLN239B, GLU182A, GLU182B, GLU230A, GLU230B, GLY221B, HIS187A, HIS187B, HIS190B, HIS234A, HIS234B, LEU185A, LEU185B, LEU222B, LEU225A, LEU225B, LYS163A, LYS181A, LYS238A, LYS238B, MET235A, MET235B, PHE178A, PHE189B, PRO218A, PRO218B, PRO220A, PRO220B, SER166A, SER166B, THR184A, THR184B, THR199A, THR199B, TRP223A, TRP223B, VAL186A, VAL186B
• A-D: ALA328A, ARG133A, ARG152D, ARG322A, ARG322D, ARG332A, ARG340A, ARG340D, ARG443D, ASP321A, ASP321D, ASP337A, ASP337D, CYS330A, GLN142A, GLN142D, GLN145D, GLU137D, GLU149D, GLU323A, GLU323D, GLY325A, GLY325D, GLY327A, LEU324A, LEU324D, LYS336A, LYS336D, MET136D, PRO138A, PRO138D, PRO326A, PRO326D, SER134D, SER135D, SER329A, SER331A, THR334D, TRP139D, TYR335A, TYR335D, VAL153D, VAL333A, VAL333D
• B-C: ARG133C, ARG152B, ARG322B, ARG322C, ARG332B, ARG332C, ARG340B, ARG340C, ARG443C, ARG483B, ASP321B, ASP321C, ASP337B, ASP337C, CYS148B, GLN142B, GLN142C, GLN145B, GLN145C, GLU149B, GLU323B, GLU323C, GLY325B, GLY325C, LEU324B, LEU324C, LYS336B, LYS336C, PRO138B, PRO138C, PRO326B, PRO326C, SER135C, THR334B, THR334C, TYR335B, TYR335C, VAL153B, VAL333C
• C-D: ALA188C, ALA188D, ALA228C, ARG224C, ARG224D, ARG241D, ARG242C, ARG242D, ASN180C, ASN180D, ASN219C, ASN219D, ASN231C, ASN231D, ASP183C, ASP183D, ASP191C, ASP191D, ASP195C, GLN227C, GLN227D, GLN239D, GLU182C, GLU182D, GLU230C, GLU230D, GLY221D, HIS187C, HIS187D, HIS234C, HIS234D, LEU185C, LEU185D, LEU222D, LEU225D, LYS238C, LYS238D, MET235C, MET235D, PHE189D, PRO218C, PRO218D, PRO220C, PRO220D, THR184C, THR184D, THR199C, TRP223C, TRP223D, VAL186D