3P5S

structural insights into the catalytic mechanism of cd38: evidence for a conformationally flexible covalent enzyme-substrate complex

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -2.0648
• Hub Node: A(1)

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	-39.5607	16.2989	-189.411	-212.6729	103	16	0	8128	2	22	25

Interface residues

• A-B: ALA106A, ALA106B, ALA189A, ALA192A, ALA192B, ALA219A, ALA81B, ARG133B, ARG187A, ARG187B, ARG216A, ARG223A, ARG223B, ARG259A, ARG259B, ARG67A, ARG67B, ARG71A, ARG71B, ARG73A, ARG73B, ASN100A, ASN100B, ASN104A, ASN104B, ASN194A, ASN194B, ASN221A, ASN221B, ASN260A, ASN260B, ASP257A, ASP98A, ASP98B, CYS112A, CYS112B, CYS193A, CYS193B, GLN114A, GLN114B, GLN115A, GLN115B, GLN225A, GLN225B, GLU186A, GLU186B, GLU190A, GLU190B, GLU218A, GLU97A, GLU97B, GLY113A, GLY113B, GLY258A, GLY258B, GLY69A, GLY69B, ILE103A, ILE103B, ILE255A, LEU102A, LEU102B, LEU105A, LEU105B, LEU222A, LEU256A, LYS96A, LYS96B, MET135B, PHE188A, PHE188B, PRO107A, PRO107B, PRO108A, PRO108B, PRO111A, PRO111B, PRO220A, PRO220B, PRO224A, PRO224B, PRO68B, SER101A, SER101B, SER191A, SER191B, SER254A, SER70A, SER70B, SER72A, THR109A, THR109B, THR95A, THR95B, TYR99A, TYR99B, VAL110A, VAL110B, VAL183A, VAL183B, VAL217A, VAL226A, VAL226B