2Q2V

structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 127
  • Norm. En. per Res.: -3.3026
• 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	-33.3736	2.0169	-381.068	-412.4247	131	4	7	14271	0	8	10
B-D	-32.8304	-15.8181	-128.077	-176.7255	55	5	6	5193	2	17	28
C-D	-23.4466	-18.1684	-377.816	-419.431	127	5	7	13988	0	8	11

Interface residues

• A-B: ALA171A, ALA171B, ALA220A, ALA220B, ALA238A, ALA238B, ALA245A, ALA245B, ALA246A, ALA246B, ALA255A, ALA255B, ARG243A, ARG243B, ARG27B, ASN174A, ASN178A, ASN178B, ASN248A, ASN248B, ASP250A, ASP250B, CYS177A, CYS177B, CYS181A, CYS181B, GLN208A, GLN216A, GLN216B, GLN241A, GLN241B, GLN256A, GLN256B, GLU169A, GLU169B, GLU225A, GLU225B, GLU229A, GLU229B, GLU237A, GLU237B, GLY161A, GLY161B, GLY167A, GLY167B, GLY183A, GLY183B, GLY228A, GLY228B, GLY239A, GLY239B, GLY244A, GLY244B, GLY251A, GLY251B, GLY252A, GLY252B, HIS209B, HIS226A, HIS226B, ILE180A, ILE180B, LEU168A, LEU168B, LEU212A, LEU212B, LEU219A, LEU219B, LEU227A, LEU227B, LEU230A, LEU230B, LEU232A, LEU232B, LEU234A, LEU234B, LEU254A, LEU254B, LYS164A, LYS164B, LYS215A, LYS215B, PHE221A, PHE221B, PHE233A, PHE233B, PRO182A, PRO217A, PRO217B, SER173A, SER173B, SER218A, SER218B, SER236A, SER236B, SER240A, SER240B, THR163A, THR163B, THR170A, THR170B, THR172A, THR172B, THR176A, THR176B, THR223A, THR223B, TRP184A, TRP184B, TRP247A, TRP247B, TRP253A, TRP253B, VAL160A, VAL160B, VAL165A, VAL165B, VAL166A, VAL166B, VAL185A, VAL185B, VAL222A, VAL222B, VAL231A, VAL231B, VAL242A, VAL242B, VAL249A, VAL249B, VAL24A, VAL24B
• B-D: ALA30D, ALA41B, ALA41D, ALA43B, ALA45B, ALA45D, ALA48B, ALA48D, ALA54B, ALA54D, ARG49B, ARG49D, ARG76B, ARG76D, ASN31B, ASN31D, ASP39B, GLU46B, GLU46D, GLU77B, GLU77D, GLY29B, GLY29D, GLY51B, GLY51D, GLY5D, GLY79D, HIS50B, HIS50D, HIS56B, HIS56D, ILE32B, ILE32D, ILE47B, ILE47D, LEU34B, LEU3D, LEU44B, LEU44D, LEU73B, LYS4B, LYS4D, LYS53B, LYS53D, LYS6D, PHE78B, PHE78D, PRO40B, PRO42B, PRO42D, THR7D, VAL52B, VAL52D, VAL55B, VAL55D
• C-D: ALA171C, ALA171D, ALA220C, ALA220D, ALA238C, ALA238D, ALA245C, ALA245D, ALA246C, ALA246D, ALA255C, ALA255D, ARG133C, ARG243C, ARG243D, ASN174D, ASN178C, ASN178D, ASN248C, ASN248D, ASP250C, ASP250D, CYS177C, CYS177D, CYS181C, CYS181D, GLN216C, GLN216D, GLN241C, GLN241D, GLN256C, GLN256D, GLU169C, GLU169D, GLU225C, GLU225D, GLU229C, GLU229D, GLU237C, GLU237D, GLY161C, GLY161D, GLY167C, GLY167D, GLY183C, GLY183D, GLY228C, GLY228D, GLY239C, GLY239D, GLY244C, GLY244D, GLY251C, GLY251D, GLY252C, GLY252D, HIS209C, HIS209D, HIS226C, HIS226D, ILE180C, ILE180D, LEU168C, LEU168D, LEU219C, LEU219D, LEU227C, LEU227D, LEU230C, LEU230D, LEU232C, LEU232D, LEU234C, LEU234D, LEU254C, LEU254D, LYS164C, LYS164D, LYS215D, PHE221C, PHE221D, PHE233C, PHE233D, PRO182C, PRO217C, PRO217D, SER173C, SER173D, SER218C, SER218D, SER236C, SER236D, SER240C, SER240D, THR163C, THR163D, THR170C, THR170D, THR172C, THR172D, THR176C, THR176D, THR223C, THR223D, TRP184C, TRP184D, TRP247C, TRP247D, TRP253C, TRP253D, VAL160C, VAL160D, VAL165C, VAL165D, VAL166C, VAL166D, VAL185D, VAL222C, VAL222D, VAL231C, VAL231D, VAL242C, VAL242D, VAL249C, VAL249D, VAL24C, VAL24D