3OWO

structures of iron-dependent alcohol dehydrogenase 2 from zymomonas mobilis zm4 with and without nad cofactor

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 150
  • Norm. En. per Res.: -3.6855
• 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	-97.3641	-38.9755	-416.487	-552.8266	150	22	15	16641	4	26	14
B-C	0.0	-4.3075	-51.9552	-56.2627	74	10	0	3264	0	20	21
C-D	-83.1242	-41.3507	-404.33	-528.8049	151	34	14	16370	3	26	14

Interface residues

• A-B: ALA130A, ALA208A, ALA208B, ALA214A, ALA214B, ALA216A, ALA216B, ALA219A, ALA219B, ALA22A, ALA22B, ALA242A, ALA242B, ALA244A, ALA244B, ALA246A, ALA246B, ALA250A, ALA250B, ALA2A, ALA2B, ARG148A, ARG148B, ARG166A, ARG166B, ARG299A, ARG299B, ASN12A, ASN12B, ASN175A, ASN175B, ASN226A, ASN226B, ASN255A, ASN255B, ASN256A, ASN256B, ASN27B, ASP124A, ASP124B, ASP165A, ASP176A, ASP176B, ASP213A, ASP213B, ASP25A, ASP25B, CYS215A, CYS215B, GLN247B, GLU13A, GLU13B, GLU16A, GLU16B, GLU241A, GLU241B, GLY15A, GLY15B, GLY17A, GLY17B, GLY28A, GLY28B, GLY30A, HIS167A, HIS167B, ILE123A, ILE123B, ILE211A, ILE211B, ILE8A, ILE8B, LEU133B, LEU178A, LEU19A, LEU19B, LEU217A, LEU217B, LEU249A, LEU249B, LEU26A, LEU26B, LYS127A, LYS127B, LYS128A, LYS128B, LYS218A, LYS218B, LYS21A, LYS21B, LYS24B, MET134A, MET134B, MET146A, MET146B, MET14A, MET14B, MET171A, MET171B, MET222A, MET222B, MET252A, MET252B, PHE10A, PHE10B, PHE248A, PHE248B, PHE6A, PHE6B, PRO129A, PRO129B, PRO170A, PRO170B, PRO177A, PRO177B, PRO210A, PRO210B, PRO238B, PRO9A, PRO9B, SER173A, SER173B, SER18A, SER18B, SER221A, SER29A, SER29B, SER3A, SER3B, SER4A, SER4B, THR169A, THR169B, THR209A, THR209B, THR212A, THR212B, THR5A, THR5B, TYR203A, TYR203B, TYR245A, TYR245B, TYR7A, TYR7B, VAL11A, VAL11B, VAL168A, VAL172A, VAL172B, VAL174A
• B-C: ALA338C, ALA345C, ALA40B, ALA40C, ALA76B, ASN233C, ASN274B, ASN274C, ASN339C, ASN43B, ASN71C, ASP232C, ASP66B, CYS280C, GLU155B, GLU342B, GLU342C, GLU348B, GLU348C, GLU79B, GLY182B, GLY186B, GLY186C, GLY270C, GLY344B, GLY344C, GLY46B, GLY67B, HIS158B, HIS277C, ILE83B, LEU187B, LEU269C, LEU275B, LEU275C, LEU343B, LEU343C, LEU78B, LYS185B, LYS185C, LYS235B, LYS235C, LYS346B, LYS346C, LYS347C, LYS44B, LYS44C, LYS49B, MET183B, MET42B, MET69B, MET69C, PHE41B, PHE41C, PRO184B, PRO184C, PRO276B, PRO276C, PRO337C, PRO70C, SER333C, SER45B, SER45C, THR341C, THR75B, TYR272B, TYR272C, TYR273B, TYR273C, TYR65B, VAL156B, VAL181B, VAL279C, VAL47B
• C-D: ALA130C, ALA208C, ALA208D, ALA214C, ALA214D, ALA216C, ALA216D, ALA219C, ALA219D, ALA22C, ALA22D, ALA242C, ALA242D, ALA244C, ALA244D, ALA246C, ALA246D, ALA250C, ALA250D, ALA2C, ARG148C, ARG148D, ARG166C, ARG166D, ARG299C, ARG299D, ASN12C, ASN12D, ASN175C, ASN175D, ASN226C, ASN226D, ASN255C, ASN255D, ASN256C, ASN256D, ASN27C, ASP124C, ASP124D, ASP176C, ASP176D, ASP213C, ASP213D, ASP25C, ASP25D, CYS215C, CYS215D, GLN247D, GLU13C, GLU13D, GLU16C, GLU16D, GLU20C, GLU20D, GLU241C, GLU241D, GLY15C, GLY15D, GLY17C, GLY17D, GLY28C, GLY28D, GLY30D, HIS167C, HIS167D, ILE123D, ILE211C, ILE211D, ILE8C, ILE8D, LEU133C, LEU133D, LEU19C, LEU19D, LEU217C, LEU217D, LEU249C, LEU249D, LEU26C, LEU26D, LYS127C, LYS127D, LYS128C, LYS128D, LYS218C, LYS218D, LYS21C, LYS21D, LYS24C, LYS24D, MET134C, MET134D, MET146C, MET146D, MET14C, MET14D, MET171C, MET171D, MET222C, MET222D, MET252C, MET252D, PHE10C, PHE10D, PHE248C, PHE248D, PHE6C, PHE6D, PRO129C, PRO129D, PRO132C, PRO132D, PRO170C, PRO170D, PRO177C, PRO177D, PRO210C, PRO210D, PRO9C, PRO9D, SER173C, SER173D, SER18C, SER18D, SER221C, SER221D, SER29C, SER29D, SER3C, SER3D, SER4C, SER4D, THR169C, THR169D, THR209C, THR209D, THR212C, THR212D, THR5C, THR5D, TYR203C, TYR203D, TYR245C, TYR245D, TYR7C, TYR7D, VAL11C, VAL11D, VAL172C, VAL172D, VAL174D