3O61

structure of the e100a e.coli gdp-mannose hydrolase (yffh) in complex with gdp-mannose and mg++

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 217
  • Norm. En. per Res.: -4.0404
• 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	-106.5765	-65.9078	-704.28	-876.7643	217	39	27	30795	1	58	58
A-C	-14.0889	-4.1352	-54.3149	-72.5391	28	3	0	1819	0	12	7
A-D	0.0	-17.0719	-74.9538	-92.0256	46	5	1	3719	4	27	24
C-D	-82.7092	-84.661	-714.81	-882.1803	225	24	26	30945	2	70	64

Interface residues

• A-B: ALA69A, ALA69B, ALA85A, ALA85B, ARG113A, ARG113B, ARG173A, ARG173B, ARG29A, ARG29B, ARG39A, ARG39B, ARG44A, ARG44B, ARG64A, ARG64B, ARG67A, ARG67B, ASN16A, ASN16B, ASN182A, ASN182B, ASN22A, ASN22B, ASN46A, ASN46B, ASN73A, ASN73B, ASN75A, ASN75B, ASP10A, ASP10B, ASP152A, ASP152B, ASP15A, ASP15B, ASP174A, ASP174B, ASP26A, ASP26B, ASP43A, ASP43B, GLN185A, GLN185B, GLN3A, GLN3B, GLN4A, GLN4B, GLN65A, GLN65B, GLN79A, GLN79B, GLU104B, GLU117A, GLU117B, GLU127A, GLU127B, GLU151A, GLU151B, GLU154A, GLU154B, GLU40A, GLU40B, GLU76A, GLU76B, GLU82A, GLU82B, GLY123A, GLY123B, GLY124A, GLY124B, GLY146A, GLY146B, GLY147B, GLY170A, GLY170B, GLY175A, GLY175B, GLY45A, GLY45B, GLY47A, GLY47B, GLY74A, GLY74B, GLY78A, GLY78B, HIS130A, HIS130B, HIS188A, HIS188B, HIS21A, HIS21B, HIS37A, HIS37B, ILE129A, ILE129B, ILE12A, ILE12B, ILE153A, ILE153B, ILE167A, ILE167B, ILE172A, ILE172B, ILE23A, ILE23B, ILE35A, ILE35B, ILE5A, ILE5B, ILE63B, ILE81A, ILE81B, ILE8A, ILE8B, LEU115A, LEU115B, LEU118A, LEU118B, LEU128A, LEU128B, LEU13A, LEU13B, LEU164A, LEU164B, LEU179A, LEU179B, LEU180A, LEU180B, LEU181A, LEU181B, LEU184B, LEU20A, LEU20B, LEU27A, LEU27B, LEU7A, LEU7B, LEU80A, LEU80B, LEU87A, LEU87B, LYS11A, LYS11B, LYS168A, LYS168B, LYS176A, LYS176B, LYS30A, LYS30B, LYS38A, LYS38B, LYS9A, MET120A, MET120B, MET166A, MET166B, MET1A, PHE116A, PHE116B, PHE131A, PHE131B, PHE18A, PHE18B, PHE66A, PHE66B, PRO122A, PRO122B, SER121A, SER121B, SER14A, SER14B, SER187A, SER187B, SER77A, SER77B, THR126A, THR126B, THR169A, THR169B, THR177A, THR177B, THR186A, THR186B, THR19A, THR19B, THR24A, THR24B, THR28B, THR2A, THR6A, THR6B, THR70A, THR70B, TRP71A, TRP71B, TYR119A, TYR119B, TYR17A, TYR17B, TYR183A, TYR183B, TYR25A, TYR25B, TYR42A, TYR42B, VAL125A, VAL125B, VAL148B, VAL178A, VAL178B, VAL41A, VAL41B, VAL68A, VAL68B, VAL72A, VAL72B
• A-C: ALA142A, ALA163C, ARG141A, ASN139A, ASN143A, ASP138A, ASP191C, GLN140A, GLN162C, GLN185C, GLU108A, GLU111A, GLU165C, GLY106A, GLY110A, HIS188C, ILE102A, ILE167C, LEU164C, LYS168C, LYS56A, MET166C, PHE160C, PRO159C, SER137A, SER161C, THR169C, TYR107A
• A-D: ALA100A, ALA101A, ALA142A, ARG113D, ARG141A, ARG98A, ASN139A, ASN143A, ASN90A, ASP191D, ASP89A, ASP91A, CYS96A, GLN140A, GLN185D, GLU103A, GLU108A, GLU111A, GLU111D, GLU135D, GLU92A, GLU94A, GLY106A, GLY110A, HIS188D, ILE102A, ILE133D, ILE97A, LEU115D, LEU184D, LEU189D, LEU88A, LYS114D, LYS56D, LYS58D, LYS99A, MET190D, SER187D, THR186D, THR55D, TYR107A, TYR183D, TYR53D, VAL109A, VAL112A, VAL95A
• C-D: ALA69C, ALA69D, ALA85C, ALA85D, ARG113C, ARG113D, ARG173C, ARG173D, ARG29C, ARG29D, ARG36C, ARG39C, ARG39D, ARG44C, ARG44D, ARG64C, ARG64D, ARG67C, ARG67D, ASN16C, ASN16D, ASN182C, ASN182D, ASN22C, ASN22D, ASN46C, ASN46D, ASN73C, ASN73D, ASN75C, ASN75D, ASP10C, ASP10D, ASP150D, ASP152C, ASP152D, ASP15C, ASP15D, ASP174C, ASP174D, ASP191C, ASP26C, ASP26D, ASP31C, ASP43C, ASP43D, GLN185C, GLN185D, GLN3C, GLN3D, GLN4C, GLN4D, GLN65C, GLN65D, GLN79C, GLN79D, GLU117C, GLU117D, GLU127C, GLU127D, GLU149D, GLU151C, GLU151D, GLU154C, GLU154D, GLU33C, GLU40C, GLU40D, GLU76C, GLU76D, GLU82C, GLU82D, GLY123C, GLY123D, GLY124C, GLY124D, GLY146D, GLY170C, GLY170D, GLY175C, GLY175D, GLY45C, GLY45D, GLY47C, GLY47D, GLY74C, GLY74D, GLY78C, GLY78D, HIS130C, HIS130D, HIS188C, HIS188D, HIS21C, HIS21D, HIS37C, HIS37D, ILE129C, ILE129D, ILE12C, ILE12D, ILE153C, ILE153D, ILE167C, ILE167D, ILE172C, ILE172D, ILE23C, ILE23D, ILE35C, ILE35D, ILE5C, ILE5D, ILE81C, ILE81D, ILE8C, ILE8D, LEU115C, LEU115D, LEU118C, LEU118D, LEU128C, LEU128D, LEU13C, LEU13D, LEU156D, LEU164C, LEU164D, LEU179C, LEU179D, LEU180C, LEU180D, LEU181C, LEU181D, LEU184C, LEU184D, LEU20C, LEU20D, LEU27C, LEU27D, LEU7C, LEU7D, LEU80C, LEU80D, LEU87C, LEU87D, LYS114C, LYS11C, LYS11D, LYS168C, LYS168D, LYS176C, LYS176D, LYS30C, LYS30D, LYS38C, LYS38D, LYS9C, LYS9D, MET120C, MET120D, MET166C, MET166D, PHE116C, PHE116D, PHE131C, PHE131D, PHE160C, PHE18C, PHE18D, PHE66C, PHE66D, PRO122C, PRO122D, SER121C, SER121D, SER14C, SER14D, SER187C, SER187D, SER77C, SER77D, THR126C, THR126D, THR169C, THR169D, THR177C, THR177D, THR186C, THR186D, THR19C, THR19D, THR24C, THR24D, THR28C, THR2C, THR2D, THR6C, THR6D, THR70C, THR70D, TRP71C, TRP71D, TYR119C, TYR119D, TYR17C, TYR17D, TYR183C, TYR183D, TYR25C, TYR25D, TYR42C, TYR42D, VAL125C, VAL125D, VAL148D, VAL155D, VAL178C, VAL178D, VAL41C, VAL41D, VAL68C, VAL68D, VAL72C, VAL72D