1ZVM

crystal structure of human cd38: cyclic-adp-ribosyl synthetase/nad+ glycohydrolase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 59
  • Norm. En. per Res.: -2.8001
• 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	-36.3565	-27.2229	-101.627	-165.2064	59	6	0	4443	3	24	26
A-C	0.0	-3.4825	-72.7482	-76.2307	57	11	0	3681	1	30	40
A-D	-6.8456	1.9562	-124.559	-129.4483	60	3	6	5904	0	20	25

Interface residues

• A-B: ALA199A, ALA200A, ARG194A, ARG195A, ARG269B, ARG78A, ASN120A, ASN270B, ASN277B, ASP141A, ASP202A, ASP252B, ASP256B, CYS119A, CYS201A, CYS275B, GLN107A, GLN115A, GLN231A, GLN236A, GLN236B, GLN255B, GLN272B, GLU198A, GLU233A, GLU261B, GLU263B, GLU76A, HIS74A, HIS79A, ILE122A, ILE259B, ILE265B, ILE266B, ILE271B, LEU112A, LEU238B, LEU262B, LYS111A, LYS121A, LYS234A, LYS260B, LYS268B, LYS276B, MET77A, PHE143A, PHE273B, PRO118A, PRO257B, PRO75A, SER264B, SER267B, SER274B, THR114A, THR116A, THR237B, VAL117A, VAL203A, VAL203B
• A-C: ARG194C, ARG247A, ARG251A, ARG269C, ARG280A, ASN182C, ASN229C, ASN270C, ASN277A, ASP219C, ASP249A, ASP252A, ASP293A, CYS254A, CYS287A, CYS296A, GLN231C, GLN255A, GLU103C, GLU198C, GLU226C, GLU233C, GLU248A, GLU292A, GLY223C, GLY245A, GLY246A, HIS228C, HIS244A, ILE265C, ILE266C, ILE271C, LEU230C, LEU253A, LYS190C, LYS218C, LYS234C, LYS268C, LYS276A, LYS283A, PHE222C, PRO232C, PRO291A, SER181C, SER220C, SER224C, SER250A, SER267C, SER294A, SER295A, THR102C, THR221C, THR297A, TRP176C, TYR279A, VAL225C, VAL227C
• A-D: ALA65A, ALA65D, ARG58A, ARG58D, ARG66A, ARG66D, ARG78A, ARG78D, ASP155A, ASP155D, ASP156A, ASP156D, ASP81A, ASP81D, ASP87A, ASP87D, CYS67A, CYS67D, CYS82A, CYS82D, GLN83A, GLN83D, GLU61A, GLU61D, GLU72A, GLU72D, ILE73A, ILE73D, LEU157A, LEU157D, LEU64A, LEU64D, LYS57A, LYS57D, LYS69A, LYS69D, LYS90A, LYS90D, PHE59A, PHE59D, PRO60A, PRO60D, SER84A, SER84D, THR158A, THR158D, THR56A, THR56D, THR62A, THR62D, TRP86A, TRP86D, TYR152A, TYR152D, TYR70A, TYR70D, VAL63A, VAL63D, VAL68A, VAL68D