3TY1

crystal structure of a hypothetical aldose 1-epimerase (kpn_04629) from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 1.90 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -3.4907
• Hub Node: A(2)

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	-68.9757	-50.986	-337.324	-457.2857	131	9	5	13795	8	56	47
A-C	-70.7633	-50.8168	-328.712	-450.2921	133	10	5	13677	9	55	49
B-C	-78.0997	-41.8577	-343.141	-463.0984	134	8	5	13910	9	54	48

Interface residues

• A-B: ALA112A, ALA112B, ALA146B, ALA162B, ALA191B, ALA218B, ALA28B, ARG119A, ASN110A, ASN110B, ASN115A, ASN115B, ASN120A, ASN129A, ASN159B, ASN216B, ASN27B, ASN321A, ASP102A, ASP147B, ASP192B, ASP219B, ASP273A, ASP275A, ASP323A, ASP33B, GLN149B, GLN194B, GLN327A, GLN356B, GLN63A, GLU107A, GLU117A, GLU117B, GLU126A, GLU138B, GLU185B, GLU276A, GLU29B, GLU30B, GLU64A, GLY121A, GLY123A, GLY127A, GLY148B, GLY31B, GLY328A, GLY358B, GLY35B, GLY60A, GLY61A, GLY65A, GLY65B, HIS142A, HIS217B, HIS222B, HIS229A, HIS59A, ILE114A, ILE114B, ILE150A, ILE150B, ILE32B, ILE68A, LEU116A, LEU116B, LEU122A, LEU125A, LEU153A, LEU164B, LEU182B, LEU193B, LEU25B, LEU58A, LYS106A, LYS156B, LYS184B, LYS189B, LYS190B, LYS272A, LYS320A, LYS326A, LYS34B, LYS56A, LYS62A, LYS67B, PHE113A, PHE113B, PHE128A, PHE188B, PHE274A, PRO104A, PRO111A, PRO111B, PRO161B, PRO221B, PRO270A, PRO357B, PRO83B, SER103A, SER118A, SER118B, SER163B, SER186B, SER66B, THR145B, THR152B, THR160B, THR187B, THR26B, THR271A, THR322A, THR324A, THR84B, TRP101A, TRP124A, TRP139B, TRP319A, TYR151B, TYR220B, TYR329A, VAL105A, VAL108A, VAL109A, VAL165B, VAL183B, VAL278A, VAL325A, VAL330A, VAL57A, VAL57B
• A-C: ALA112A, ALA112C, ALA146A, ALA162A, ALA191A, ALA218A, ALA28A, ARG119C, ASN110A, ASN110C, ASN115A, ASN115C, ASN120C, ASN129C, ASN159A, ASN216A, ASN27A, ASN321C, ASP102C, ASP147A, ASP192A, ASP219A, ASP273C, ASP275C, ASP323C, ASP33A, GLN149A, GLN194A, GLN327C, GLN356A, GLN63C, GLU107C, GLU117A, GLU117C, GLU126C, GLU138A, GLU185A, GLU276C, GLU29A, GLU30A, GLU64A, GLU64C, GLY121C, GLY123C, GLY127C, GLY148A, GLY31A, GLY328C, GLY358A, GLY35A, GLY60C, GLY61C, GLY65A, GLY65C, HIS142C, HIS217A, HIS222A, HIS229C, HIS59C, ILE114A, ILE114C, ILE150A, ILE150C, ILE32A, ILE68C, LEU116A, LEU116C, LEU122C, LEU125C, LEU153C, LEU164A, LEU182A, LEU193A, LEU25A, LEU58C, LYS106C, LYS156A, LYS184A, LYS189A, LYS190A, LYS272C, LYS320C, LYS326C, LYS34A, LYS56C, LYS62C, LYS67A, PHE113A, PHE113C, PHE128C, PHE188A, PHE274C, PRO104C, PRO111A, PRO111C, PRO161A, PRO221A, PRO270C, PRO357A, PRO83A, SER103C, SER118A, SER118C, SER163A, SER186A, SER66A, THR145A, THR145C, THR152A, THR160A, THR187A, THR26A, THR271C, THR322C, THR324C, THR84A, TRP101C, TRP124C, TRP139A, TRP319C, TYR151A, TYR220A, TYR329C, VAL105C, VAL108C, VAL109C, VAL165A, VAL183A, VAL278C, VAL325C, VAL330C, VAL57A, VAL57C
• B-C: ALA112B, ALA112C, ALA146C, ALA162C, ALA191C, ALA218C, ALA28C, ARG119B, ASN110B, ASN110C, ASN115B, ASN115C, ASN120B, ASN129B, ASN159C, ASN216C, ASN27C, ASN321B, ASP102B, ASP147C, ASP192C, ASP219C, ASP273B, ASP275B, ASP323B, ASP33C, GLN149C, GLN194C, GLN327B, GLN356C, GLN63B, GLU107B, GLU117B, GLU117C, GLU126B, GLU138C, GLU185C, GLU276B, GLU29C, GLU30C, GLU64B, GLU64C, GLY121B, GLY123B, GLY127B, GLY148C, GLY31C, GLY328B, GLY358C, GLY35C, GLY60B, GLY61B, GLY65B, GLY65C, HIS142B, HIS217C, HIS222C, HIS229B, HIS59B, ILE114B, ILE114C, ILE150B, ILE150C, ILE32C, ILE68B, LEU116B, LEU116C, LEU122B, LEU125B, LEU153B, LEU164C, LEU182C, LEU193C, LEU25C, LEU58B, LYS106B, LYS156C, LYS184C, LYS189C, LYS190C, LYS272B, LYS320B, LYS326B, LYS34C, LYS56B, LYS62B, LYS67C, PHE113B, PHE113C, PHE128B, PHE188C, PHE274B, PRO104B, PRO111B, PRO111C, PRO161C, PRO221C, PRO270B, PRO357C, PRO83C, SER103B, SER118B, SER118C, SER163C, SER186C, SER66C, THR145B, THR145C, THR152C, THR160C, THR187C, THR215C, THR26C, THR271B, THR322B, THR324B, THR84C, TRP101B, TRP124B, TRP139C, TRP319B, TYR151C, TYR220C, TYR329B, VAL105B, VAL108B, VAL109B, VAL165C, VAL183C, VAL278B, VAL325B, VAL330B, VAL57B, VAL57C