3SMP

monoclinic crystal structure of human pantothenate kinase 1 alpha

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 199
  • Norm. En. per Res.: -3.4654
• 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	-69.8866	-105.704	-514.032	-689.6225	199	15	5	20990	5	26	18

Interface residues

• A-B: ALA492A, ALA492B, ALA494A, ALA494B, ALA517A, ALA517B, ALA530A, ALA530B, ALA534A, ALA534B, ARG432A, ARG432B, ARG485A, ARG485B, ARG506A, ARG506B, ARG531A, ARG531B, ASN414A, ASN414B, ASN429B, ASN499A, ASN499B, ASN524A, ASN524B, ASN525A, ASN525B, ASN536A, ASN536B, ASN538A, ASN538B, ASP362A, ASP362B, ASP365A, ASP365B, ASP428B, ASP472A, ASP472B, ASP507A, ASP507B, CYS366A, CYS366B, CYS447A, CYS447B, CYS448A, CYS448B, CYS453A, CYS453B, CYS533A, CYS533B, GLN369B, GLN489A, GLN489B, GLU363A, GLU363B, GLU454A, GLU454B, GLU458B, GLU484B, GLU537A, GLU537B, GLY341B, GLY416A, GLY416B, GLY418A, GLY418B, GLY435A, GLY435B, GLY439A, GLY439B, GLY440A, GLY440B, GLY441A, GLY441B, GLY445A, GLY445B, GLY452A, GLY452B, GLY487A, GLY487B, GLY498A, GLY498B, ILE368A, ILE368B, ILE421A, ILE421B, ILE478A, ILE478B, ILE509A, ILE509B, ILE522A, ILE522B, ILE526A, ILE526B, ILE529A, ILE529B, LEU364A, LEU364B, LEU367A, LEU422A, LEU422B, LEU438A, LEU438B, LEU444A, LEU444B, LEU446A, LEU446B, LEU449A, LEU449B, LEU450A, LEU450B, LEU474A, LEU474B, LEU488A, LEU488B, LEU514A, LEU514B, LEU535A, LEU535B, LYS360B, LYS431A, LYS431B, LYS473A, LYS473B, LYS503A, LYS503B, LYS505A, LYS505B, LYS511A, LYS568A, LYS568B, MET500A, MET500B, MET501A, MET501B, MET532A, MET532B, PHE344B, PHE443A, PHE443B, PHE456A, PHE456B, PHE486A, PHE486B, PHE497A, PHE497B, PHE565A, PHE565B, SER417A, SER417B, SER420A, SER420B, SER437A, SER437B, SER495A, SER495B, SER496A, SER496B, SER502A, SER502B, SER508B, SER528A, SER528B, THR434A, THR434B, THR436A, THR436B, THR442A, THR442B, THR451A, THR451B, THR455A, THR455B, THR518A, THR518B, THR521A, THR521B, THR523A, THR523B, TRP566A, TRP566B, TYR430A, TYR430B, TYR479A, TYR479B, TYR483A, TYR483B, VAL419A, VAL419B, VAL433A, VAL433B, VAL471A, VAL471B, VAL475A, VAL475B, VAL493A, VAL493B, VAL520A, VAL520B