2F9Q

crystal structure of human cytochrome p450 2d6

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 119
  • Norm. En. per Res.: -2.3723
• Hub Node: A(3)

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	-17.9077	-17.2888	-54.9046	-90.1011	53	26	0	4062	2	17	28
A-C	-8.8941	-31.4478	-212.44	-252.7819	124	8	0	10178	6	39	44
A-D	-9.9853	0.0	-199.3	-209.2853	114	30	15	11346	0	10	11
B-C	0.0	0.0	-203.189	-203.189	112	26	16	10655	0	10	15
B-D	-10.8188	-38.3794	-233.106	-282.3042	119	9	0	10097	6	36	45
C-D	-30.3181	-10.825	-61.1133	-102.2563	53	24	0	3987	1	19	29

Interface residues

• A-B: ARG62A, ARG62B, ARG63A, ARG63B, ARG64A, ARG64B, ASN53A, ASP59A, ASP59B, CYS57A, CYS57B, GLN60A, GLN60B, GLU406A, GLU406B, GLY36B, GLY479A, GLY479B, HIS477A, HIS477B, HIS478A, HIS478B, LEU38A, LEU38B, LEU40A, LEU61A, LEU61B, PHE366A, PHE413A, PHE413B, PHE481A, PHE58A, PHE58B, PHE65A, PHE65B, PRO35B, PRO37A, PRO37B, PRO39B, PRO412A, PRO41A, PRO489B, PRO55A, PRO55B, SER476A, SER476B, SER488A, SER488B, TRP316A, TYR56A, TYR56B, VAL480A, VAL480B
• A-C: ALA235A, ALA235C, ALA237A, ALA237C, ALA246A, ALA246C, ARG170A, ARG170C, ARG173A, ARG173C, ARG201A, ARG201C, ARG204A, ARG204C, ARG242A, ARG242C, ARG474A, ARG474C, ASN166A, ASN166C, ASN175A, ASN175C, ASP198A, ASP198C, ASP199A, ASP199C, ASP207A, ASP207C, CYS493A, CYS493C, GLN210A, GLN210C, GLN250A, GLN250C, GLN472A, GLN472C, GLU211A, GLU211C, GLU215A, GLU215C, GLU253A, GLU253C, GLU257A, GLU257C, GLU491A, GLU491C, GLY238A, GLY238C, GLY471A, GLY471C, HIS167A, HIS167C, ILE322A, ILE322C, LEU203A, LEU203C, LEU205A, LEU205C, LEU208A, LEU208C, LEU236A, LEU236C, LEU241A, LEU241C, LEU251A, LEU251C, LEU254A, LEU254C, LEU319A, LEU319C, LEU323A, LEU323C, LEU492A, LEU492C, LYS180A, LYS180C, LYS214A, LYS214C, LYS239A, LYS239C, LYS245A, LYS245C, PHE172A, PHE172C, PHE195A, PHE195C, PHE202A, PHE202C, PHE243A, PHE243C, PHE247A, PHE247C, PRO171A, PRO171C, PRO174A, PRO174C, PRO200A, PRO200C, PRO469A, PRO469C, PRO473A, PRO473C, PRO475A, PRO475C, PRO489A, PRO489C, SER168A, SER168C, SER476A, SER476C, SER488A, SER488C, THR249A, THR249C, THR470A, THR470C, TYR490A, TYR490C, VAL240A, VAL240C, VAL468A, VAL468C, VAL480A, VAL480C
• A-D: ALA226A, ALA226D, ALA235A, ALA235D, ALA237A, ALA237D, ALA74A, ALA74D, ARG221A, ARG221D, ARG231A, ARG231D, ARG242D, ARG388A, ARG388D, ASN225A, ASN225D, ASP230A, ASP230D, GLN108A, GLN108D, GLN72A, GLN72D, GLU211D, GLU215A, GLU215D, GLU216A, GLU216D, GLU222A, GLU222D, GLY218A, GLY218D, GLY238A, GLY238D, GLY36A, GLY36D, GLY392D, HIS232A, HIS232D, ILE106A, ILE106D, ILE109A, ILE109D, ILE233A, ILE233D, LEU213D, LEU220A, LEU220D, LEU224A, LEU224D, LEU236A, LEU236D, LEU241A, LEU241D, LEU38A, LEU38D, LEU40A, LEU73A, LEU73D, LYS214D, LYS239A, LYS239D, LYS391D, PHE219A, PHE219D, PHE243D, PHE65D, PRO102A, PRO102D, PRO103A, PRO103D, PRO105A, PRO105D, PRO228A, PRO228D, PRO234A, PRO234D, PRO34A, PRO34D, PRO35A, PRO35D, PRO37A, PRO37D, PRO390A, PRO390D, PRO39A, PRO39D, PRO41A, PRO77A, PRO77D, SER217A, SER217D, SER70A, SER70D, THR375A, THR375D, THR393A, THR393D, THR76A, THR76D, TRP75A, TRP75D, VAL104A, VAL104D, VAL223A, VAL223D, VAL227A, VAL227D, VAL229A, VAL229D, VAL240A, VAL240D, VAL78A, VAL78D
• B-C: ALA226B, ALA226C, ALA235B, ALA235C, ALA237B, ALA237C, ALA74B, ALA74C, ARG221B, ARG221C, ARG231B, ARG231C, ARG242B, ARG242C, ARG388B, ARG388C, ASN225B, ASN225C, ASP230B, ASP230C, GLN108B, GLN108C, GLN72B, GLN72C, GLU211B, GLU215B, GLU215C, GLU216B, GLU216C, GLU222B, GLU222C, GLY212B, GLY218B, GLY218C, GLY238B, GLY238C, GLY36B, GLY36C, GLY392B, GLY392C, HIS232B, HIS232C, ILE106B, ILE106C, ILE109B, ILE109C, ILE233B, ILE233C, LEU213B, LEU220B, LEU220C, LEU224B, LEU224C, LEU236B, LEU236C, LEU241B, LEU241C, LEU38B, LEU38C, LEU40C, LEU73B, LEU73C, LYS214B, LYS239B, LYS239C, LYS391B, LYS391C, PHE219B, PHE219C, PHE243B, PRO102C, PRO103B, PRO103C, PRO105B, PRO105C, PRO228B, PRO228C, PRO234B, PRO234C, PRO34B, PRO34C, PRO35B, PRO35C, PRO37B, PRO37C, PRO390B, PRO390C, PRO39B, PRO39C, PRO41C, PRO77B, PRO77C, SER217B, SER217C, SER70B, SER70C, THR393B, THR393C, THR76B, THR76C, TRP75B, TRP75C, VAL104B, VAL104C, VAL223B, VAL223C, VAL227B, VAL227C, VAL229B, VAL229C, VAL240B, VAL240C
• B-D: ALA235B, ALA235D, ALA237B, ALA237D, ALA246B, ALA246D, ARG170B, ARG170D, ARG173B, ARG173D, ARG201B, ARG201D, ARG204B, ARG204D, ARG242B, ARG242D, ARG474B, ARG474D, ASN166B, ASN166D, ASN175B, ASN175D, ASP198B, ASP198D, ASP199D, ASP207B, ASP207D, CYS493B, GLN210B, GLN210D, GLN250B, GLN250D, GLN472B, GLN472D, GLU211B, GLU211D, GLU215B, GLU215D, GLU253B, GLU253D, GLU257B, GLU257D, GLU491B, GLU491D, GLY238B, GLY238D, GLY471B, GLY471D, HIS167B, HIS167D, HIS477B, ILE109B, ILE109D, ILE322B, ILE322D, LEU203B, LEU203D, LEU205B, LEU205D, LEU208B, LEU208D, LEU236B, LEU236D, LEU241B, LEU241D, LEU251B, LEU251D, LEU254B, LEU254D, LEU319B, LEU319D, LEU323B, LEU323D, LEU492B, LEU492D, LYS214B, LYS214D, LYS239B, LYS239D, LYS245B, LYS245D, PHE172B, PHE172D, PHE202B, PHE202D, PHE243B, PHE243D, PHE247B, PHE247D, PRO171B, PRO171D, PRO174B, PRO174D, PRO200B, PRO200D, PRO469B, PRO469D, PRO473B, PRO473D, PRO475B, PRO475D, PRO489B, PRO489D, SER476B, SER476D, SER488B, SER488D, THR249B, THR249D, THR470B, THR470D, TYR490B, TYR490D, VAL240B, VAL240D, VAL468B, VAL468D, VAL480B, VAL480D
• C-D: ARG414D, ARG62D, ARG63C, ARG63D, ARG64C, ARG64D, ASN53C, ASP59C, ASP59D, CYS57C, CYS57D, GLN60C, GLN60D, GLU406C, GLU406D, GLY36C, GLY479C, GLY479D, HIS477C, HIS477D, HIS478C, HIS478D, LEU38C, LEU38D, LEU40C, LEU61C, LEU61D, LYS404D, PHE366D, PHE413C, PHE413D, PHE481C, PHE58C, PHE58D, PHE65C, PHE65D, PRO37C, PRO37D, PRO39C, PRO412D, PRO41C, PRO489D, PRO55C, PRO55D, SER476C, SER476D, SER488D, THR54C, TRP316D, TYR56C, TYR56D, VAL480C, VAL480D