2HTB

crystal structure of a putative mutarotase (yead) from salmonella typhimurium in monoclinic form

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 56
  • Norm. En. per Res.: -3.6759
• 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	-53.769	1.6055	-132.616	-184.7794	56	9	5	6026	4	17	21
A-C	-21.2759	-1.1437	-117.759	-140.1786	88	27	1	5027	0	21	28
A-D	0.0	0.0	-20.5294	-20.5294	22	0	0	1205	0	5	4
C-D	-67.5323	-1.7494	-136.569	-205.8507	56	11	6	5960	4	17	21

Interface residues

• A-B: ALA104A, ALA104B, ALA107A, ALA107B, ARG20A, ARG20B, ARG21A, ARG21B, ASP27A, ASP27B, GLN122B, GLN13A, GLN13B, GLN22A, GLN22B, GLU120A, GLU120B, GLU12A, GLU12B, HIS108A, HIS108B, ILE11A, ILE11B, ILE29A, ILE29B, LEU105A, LEU105B, LEU117A, LEU14A, LEU14B, LEU18A, LEU18B, LEU28A, LEU28B, LEU42A, LEU42B, LYS106A, LYS106B, PHE119A, PHE119B, PRO102A, PRO102B, PRO16A, PRO16B, PRO9A, PRO9B, SER19A, SER19B, THR118A, THR118B, THR15A, THR15B, TRP103A, TRP103B, VAL10A, VAL10B
• A-C: ALA107C, ALA153C, ALA158A, ALA191A, ALA216C, ALA271A, ALA273A, ALA277A, ALA292C, ALA87A, ALA88A, ARG140C, ARG183A, ARG206A, ARG284C, ASN109C, ASN113C, ASN189A, ASP111C, ASP190A, ASP230C, CYS147C, CYS217C, CYS290C, GLN275A, GLN276A, GLN89A, GLN90A, GLU110C, GLU148C, GLU150C, GLU152C, GLU156A, GLU193A, GLU215C, GLU279C, GLU280C, GLY144C, GLY155C, GLY85A, GLY91A, HIS108C, HIS133A, HIS154C, HIS233C, HIS234C, HIS235C, ILE185A, LEU105C, LEU117C, LEU138C, LEU14C, LEU18C, LEU212A, LEU237A, LEU92A, LYS106C, LYS142C, LYS145C, LYS187A, LYS192A, LYS281A, LYS281C, MET116C, PHE157A, PRO132A, PRO16C, PRO274A, PRO282C, PRO86A, PRO93A, SER283C, SER94A, THR118C, THR146C, THR159A, THR15C, THR160A, THR272A, THR278A, THR278C, THR288C, TRP131A, TRP83A, TYR270A, VAL115C, VAL17C, VAL232C
• A-D: ALA126A, ASP32D, GLN13D, GLN35D, GLN89A, GLN90A, GLU110D, GLU12D, GLY91A, HIS108D, HIS33D, LEU14D, LEU18D, LEU92A, LYS129A, LYS37D, PRO16D, PRO34D, THR15D, TYR130A, VAL10D, VAL17D
• C-D: ALA104C, ALA104D, ALA107C, ALA107D, ARG20C, ARG20D, ARG21C, ARG21D, ASP27C, ASP27D, GLN122C, GLN122D, GLN13C, GLN13D, GLN22C, GLN22D, GLU120C, GLU120D, GLU12C, GLU12D, HIS108C, HIS108D, ILE11C, ILE11D, ILE29C, ILE29D, LEU105C, LEU105D, LEU14C, LEU14D, LEU18C, LEU18D, LEU28C, LEU28D, LEU42C, LEU42D, LYS106C, LYS106D, PHE119C, PHE119D, PRO102C, PRO102D, PRO16C, PRO16D, PRO9C, PRO9D, SER19C, SER19D, THR118C, THR118D, THR15C, THR15D, TRP103C, TRP103D, VAL10C, VAL10D