3T8N

crystal structure of ketosteroid isomerase y16ad103a from pseudomonas putida

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -4.3346
• 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	-35.6161	-51.8571	-345.988	-433.4612	100	9	11	13170	3	16	5
B-D	0.0	0.0	-0.0609	-0.0609	2	0	0	25	0	0	1
D-F	-36.5013	-52.9771	-342.276	-431.7543	102	7	11	13001	2	16	5

Interface residues

• A-B: ALA103A, ALA103B, ALA118A, ALA118B, ALA6A, ALA6B, ALA76A, ALA76B, ALA83A, ALA83B, ARG106A, ARG106B, ARG75A, ARG75B, ARG87A, ARG87B, ASN124A, ASN124B, ASN79A, ASN79B, ASP100A, ASP100B, CYS69A, CYS69B, CYS81A, CYS81B, GLN10A, GLN10B, GLN117A, GLN117B, GLN44A, GLN44B, GLN7A, GLN7B, GLU122A, GLU122B, GLU39A, GLU39B, GLU8A, GLU8B, GLY11A, GLY43A, GLY43B, GLY72A, GLY72B, GLY80A, GLY80B, GLY82A, GLY82B, HIS78A, HIS78B, ILE102A, ILE102B, LEU125A, LEU125B, LEU70A, LEU70B, LEU99A, LEU99B, MET105A, MET105B, MET13A, MET13B, MET84A, MET84B, PHE107A, PHE42A, PHE42B, PHE86A, PHE86B, PRO41A, PRO41B, PRO73A, PRO73B, PRO85A, PRO85B, SER121A, SER121B, SER77A, SER77B, THR5A, THR5B, THR71A, THR71B, TRP120A, TRP120B, TYR119A, TYR119B, VAL101A, VAL101B, VAL104A, VAL104B, VAL123A, VAL123B, VAL74A, VAL74B, VAL88A, VAL88B, VAL9A, VAL9B
• B-D: LYS65B, LYS65D
• D-F: ALA103D, ALA103F, ALA118D, ALA118F, ALA6D, ALA6F, ALA76D, ALA76F, ALA83D, ALA83F, ARG106D, ARG106F, ARG75D, ARG75F, ARG87D, ARG87F, ASN124D, ASN124F, ASN79D, ASN79F, ASP100D, ASP100F, CYS69D, CYS69F, CYS81D, CYS81F, GLN10D, GLN10F, GLN117D, GLN117F, GLN44D, GLN44F, GLN7D, GLN7F, GLU122D, GLU122F, GLU39D, GLU39F, GLU8D, GLU8F, GLY11D, GLY43D, GLY43F, GLY72D, GLY72F, GLY80D, GLY80F, GLY82D, GLY82F, HIS78D, HIS78F, ILE102D, ILE102F, LEU125D, LEU125F, LEU70D, LEU70F, LEU99D, LEU99F, MET105D, MET105F, MET13D, MET13F, MET84D, MET84F, PHE107F, PHE42D, PHE42F, PHE86D, PHE86F, PRO41D, PRO41F, PRO45F, PRO73D, PRO73F, PRO85D, PRO85F, SER121D, SER121F, SER126F, SER77D, SER77F, THR5D, THR5F, THR71D, THR71F, TRP120D, TRP120F, TYR119D, TYR119F, VAL101D, VAL101F, VAL104D, VAL104F, VAL123D, VAL123F, VAL74D, VAL74F, VAL88D, VAL88F, VAL9D, VAL9F